SCHEMBL3721153

SCHEMBL3721153

N#Cc1cn(CCCN)c2nc(Nc3cccc(F)c3)ncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.43
CCND3 P30281 2/20 0.43
CCND1 P24385 1/20 0.43
CCND2 P30279 1/20 0.43
SYK P43405 3/20 0.41
CDK1 P06493 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
BCDIN3D Q7Z5W3 1/20 0.37
CDC7 O00311 1/20 0.37
PRKCQ Q04759 1/20 0.37
GRM5 P41594 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36

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
SCHEMBL3721151 0.86 CDK4 (0.43) CDK4CCND3CCND1CCND2SYK
SCHEMBL3713884 0.85 CDK4 (0.48) CDK4CCND3CCND1CCND2SYK
SCHEMBL15163202 0.85 CDK4 (0.45) CDK4CCND3CCND1CCND2SYK
SCHEMBL15163102 0.83 TBK1 (0.44) CDK4CCND3CCND1CCND2GRM5
SCHEMBL1285231 0.81 TBK1 (0.58) STK17BSTK17ATBK1
SCHEMBL3790800 0.79 KDM1A (0.36) MEN1KMT2A
SCHEMBL15163478 0.79 CDK4 (0.53) CDK4CCND3CCND1CCND2SYK
SCHEMBL15163235 0.72 SYK (0.52) CDK4SYKCDK1EGFRERBB2
SCHEMBL3713882 0.71 CDK4 (0.48) CDK4CCND3CCND1CCND2CDC7
SCHEMBL15163200 0.71 CDK4 (0.46) CDK4CCND3CCND1CCND2CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP claimed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO claimed
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP disclosed