SCHEMBL7199253

SCHEMBL7199253

C=C(O)Cn1cnc2c(N)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.62
ADORA1 P30542 4/20 0.62
EGFR P00533 1/20 0.62
PI4KA P42356 3/20 0.61
PI4K2B Q8TCG2 3/20 0.61
PI4K2A Q9BTU6 3/20 0.61
PI4KB Q9UBF8 3/20 0.61
ADORA2B P29275 1/20 0.58
ALDH1A1 P00352 1/20 0.57
AHCY P23526 6/20 0.56

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
SCHEMBL1673251 0.84 EGFR (0.70) ADORA2AADORA1EGFRPI4KAPI4K2B
SCHEMBL17165347 0.81 EGFR (0.66) ADORA2AADORA1EGFRPI4KAPI4K2B
SCHEMBL2495370 0.80 ADORA2A (0.69) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1871838 0.80 ADORA2A (0.75) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL27713663 0.79 EGFR (0.64) ADORA2AADORA1EGFRPI4KAPI4K2B
SCHEMBL11222112 0.79 ADORA2A (0.80) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL12925855 0.78 ADORA2A (0.71) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL27664399 0.77 ADORA2A (0.66) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3394729 0.77 ADORA2A (0.71) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL15841807 0.77 ADORA2A (0.71) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030125298-A1 Cancer therapy comprising deaminase enzyme inhibitors CTRE DE RECHERCHE INDUST. DU QUEBEC (CA) 2003-07-03 US disclosed
US-6579857-B1 Combination cancer therapy comprising adenosine and deaminase enzyme inhibitors EVANSTON NORTHWESTERN HEALTHCARE RESEARCH INSTITUTE 2003-06-17 US disclosed
EP-0936911-B1 ADENOSINE DEAMINASE INHIBITORS RHODE ISLAND EDUCATION (US) 2002-04-10 EP disclosed
WO-2000076524-A1 COMBINATION CANCER THERAPY COMPRISING ADENOSINE AND DEAMINASE ENZYME INHIBITOR EVANSTON NORTHWESTERN HEALTHCARE RESEARCH INSTITUTE (US) 2000-12-21 WO disclosed
EP-0936911-A4 1999-10-06 EP disclosed
CN-1227489-A Adenosine deaminase inhibitors GOVERNORS FOR HIGH EDUCATION S (US) 1999-09-01 CN disclosed
EP-0936911-A1 ADENOSINE DEAMINASE INHIBITORS THE BOARD OF GOVERNORS FOR HIGHER EDUCATION STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 1999-08-25 EP disclosed
EP-0871449-A1 HYDROXYNONYLADENINE ANALOGS WITH ENHANCED LIPOPHILIC AND ANTI-ISCHEMIC TRAITS Cypros Pharmaceutical Corporation (US) 1998-10-21 EP disclosed
EP-0871449-A4 1998-10-21 EP disclosed
WO-1998002166-A1 ADENOSINE DEAMINASE INHIBITORS THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 1998-01-22 WO disclosed
US-5703084-A Adenosine deaminase inhibitors THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 1997-12-30 US disclosed
WO-1997028803-A1 HYDROXYNONYLADENINE ANALOGS WITH ENHANCED LIPOPHILIC AND ANTI-ISCHEMIC TRAITS CYPROS PHARMACEUTICAL CORPORATION (US) 1997-08-14 WO disclosed
US-5491146-A ADENOSIN DEAMINASE INHIBITORS CYPROS PHARMACEUTICAL CORPORATION (US) 1996-02-13 US disclosed
US-4315920-A Adenosine deaminase inhibitors BURROUGHS WELLCOME CO. (US) 1982-02-16 US disclosed