SCHEMBL886940

SCHEMBL886940

COC(P)Cn1cnc2c(N)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.63
ADORA1 P30542 4/20 0.63
PI4KA P42356 2/20 0.59
PI4K2B Q8TCG2 2/20 0.59
PI4K2A Q9BTU6 2/20 0.59
PI4KB Q9UBF8 2/20 0.59
AHCY P23526 5/20 0.58
ADORA2B P29275 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.54
NSD3 Q9BZ95 2/20 0.52
NSD2 O96028 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3421178 0.85 ADORA2A (0.59) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10015788 0.84 ADORA2A (0.69) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1249908 0.84 ADORA2A (0.69) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10882488 0.84 ADORA2A (0.63) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10878427 0.84 ADORA2A (0.65) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL336404 0.84 ADORA2A (0.65) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL599463 0.83 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1635108 0.82 CCNE1 (0.60) ADORA2AADORA1AHCY
SCHEMBL23547672 0.81 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL22855519 0.81 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 126 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627165-A ANTIVIRAL AND ANTILEUKEMIA AGENTS DRUG INNOVATION & DESIGN, INC. (US) 1997-05-06 US claimed
WO-1992016212-A1 INCREASING THE THERAPEUTIC EFFICIENCY OF MACROPHAGE-TARGETED THERAPEUTIC AGENTS BY UP-REGULATING THE MANNOSE LECTIN ON MACROPHAGES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1992-10-01 WO claimed
EP-4019048-A1 ABCC11 INHIBITOR The University of Tokyo (JP) 2022-06-29 EP disclosed
US-9932646-B2 Detection and use of antiviral resistance mutations ABL SA (LU) 2018-04-03 US disclosed
US-9702005-B2 Hepatitis B viral variants with reduced susceptibility to nucleoside analogs and uses thereof ABL SA (LU) 2017-07-11 US disclosed
US-9701982-B2 Variants of hepatitis B virus with resistance to anti-viral nucleoside agents and applications thereof ABL SA (LU) 2017-07-11 US disclosed
US-9682109-B2 Antiviral resistance mutants and applications thereof ABL SA (LU) 2017-06-20 US disclosed
US-9522932-B2 Phosphonate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2016-12-20 US disclosed
WO-2016123504-A1 BTK INHIBITOR COMBINATIONS AND MULTIDRUG-RESISTANCE PHARMACYCLICS LLC (US) 2016-08-04 WO disclosed
US-20160032410-A1 DETECTION AND USE OF ANTIVIRAL RESISTANCE MUTATIONS BARTHOLOMEUSZ ANGELINE INGRID (AU) 2016-02-04 US disclosed
EP-2980095-A1 PHOSPONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION K.U.Leuven Research & Development (BE) 2016-02-03 EP disclosed
WO-2002003993-A2 USE OF INHIBITORS TO MULTIDRUG RESISTANCE PROTEIN 5 (MRP5) TO ENHANCE INTRACELLULAR LEVELS OF CYCLIC NUCLEOTIDES Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2002-01-17 WO disclosed
EP-1003762-A2 BASE ANALOGUES Nycomed Amersham PLC (GB) 2000-05-31 EP disclosed
WO-1999006422-A2 BASE ANALOGUES NYCOMED AMERSHAM PLC (GB) 1999-02-11 WO disclosed
US-5760022-A ESTER, ETHER PERSTORP AB (SE) 1998-06-02 US disclosed
EP-0797443-A1 A PHARMACEUTICAL COMPOSITION WITH IMPROVED BIO-AVAILABILITY OF INOSITOL PHOSPHATE PERSTORP AB (SE) 1997-10-01 EP disclosed
US-5614510-A AMMONIUM SALTS PERSTORP AB (SE) 1997-03-25 US disclosed
WO-1995019775-A1 A PHARMACEUTICAL COMPOSITION WITH IMPROVED BIO-AVAILABILITY OF INOSITOL PHOSPHATE PERSTORP AB (SE) 1995-07-27 WO disclosed
WO-1993016705-A1 A PHARMACEUTICAL COMPOSITION WITH IMPROVED BIOAVAILABILITY OF INOSITOL PHOSPHATE PERSTORP AB (SE) 1993-09-02 WO disclosed
WO-1992016212-A1 INCREASING THE THERAPEUTIC EFFICIENCY OF MACROPHAGE-TARGETED THERAPEUTIC AGENTS BY UP-REGULATING THE MANNOSE LECTIN ON MACROPHAGES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1992-10-01 WO disclosed