SCHEMBL20770534

SCHEMBL20770534

c1cnc2c(-c3ccncc3)c(-c3ccc(OCCN4CCCCC4)cc3)nn2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.55
JAK3 P52333 2/20 0.55
FLT1 P17948 2/20 0.52
KDR P35968 2/20 0.52
BMPR1B O00238 1/20 0.52
PRKAB2 O43741 1/20 0.52
LCK P06239 1/20 0.52
YES1 P07947 1/20 0.52
THRB P10828 1/20 0.52
BMP4 P12644 1/20 0.52
SRC P12931 1/20 0.52
EIF2AK2 P19525 1/20 0.52
EPHA2 P29317 1/20 0.52
BMPR1A P36894 1/20 0.52
ACVR1B P36896 1/20 0.52
TGFBR1 P36897 1/20 0.52
ACVRL1 P37023 1/20 0.52
TGFBR2 P37173 1/20 0.52
PRKAG1 P54619 1/20 0.52
PRKAA2 P54646 1/20 0.52

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
SCHEMBL8836681 0.74 PTGS2 (0.70) KDRSRCPTGS2
SCHEMBL8836442 0.74 PTGS2 (0.70) KDRSRCPTGS2
SCHEMBL18837471 0.73 LTA4H (0.84) LTA4HHRH3PTGS2
SCHEMBL17128931 0.73 PTGS2 (0.44) JAK2JAK3SRCPTGS2CYP1A2
SCHEMBL12050716 0.72 HRH3 (0.82) LTA4HHRH3
SCHEMBL25059331 0.71 LTA4H (0.87) LTA4HHRH3PTGS2KDM4E
SCHEMBL27211392 0.71 TGFBR1 (0.60) JAK2JAK3FLT1KDRBMPR1B
SCHEMBL8836701 0.71 PTGS2 (0.53) LCKESR1ESR2PTGS2MAPT
SCHEMBL2635534 0.71 JAK2 (1.00) JAK2JAK3PTK2
SCHEMBL21234366 0.69 LTA4H (0.60) FLT1KDRBMPR1BPRKAB2LCK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240052418-A1 METHOD FOR PREDICTING A SUBJECT'S RESPONSE TO SLC MODULATOR THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-02-15 US disclosed
US-11814681-B2 Method for predicting a subjects response to SLC modulator therapy THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-14 US disclosed
EP-4110465-A1 MOLECULAR BIOMARKERS AND TARGETS FOR FUCHS' ENDOTHELIAL CORNEAL DYSTROPHY AND GLAUCOMA THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-01-04 EP disclosed
US-20210348234-A1 MOLECULAR BIOMARKERS AND TARGETS FOR FUCHES' ENDOTHELIAL CORNEAL DYSTROPHY AND GLAUCOMA THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-11 US disclosed
US-20210254158-A1 METHOD FOR PREDICTING A SUBJECTS RESPONSE TO SLC MODULATOR THERAPY RESEARCH FOUNDATION FOR MENTAL HYGIENE, INC. 2021-08-19 US disclosed
WO-2019046303-A1 A METHOD FOR PREDICTING A SUBJECT'S RESPONSE TO SLC MODULATOR THERAPY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-03-07 WO disclosed