SCHEMBL3721151

SCHEMBL3721151

N#Cc1cn(CCC(N)=O)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 0.40
▸ JAK3 P52333 5/20 0.39
▸ JAK2 O60674 4/20 0.39
▸ JAK1 P23458 3/20 0.39
▸ DAPK3 O43293 2/20 0.39
▸ PRKD3 O94806 2/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ CSNK1A1 P48729 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ MAP4K2 Q12851 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ MELK Q14680 2/20 0.39

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
SCHEMBL3713882 0.86 CDK4 (0.48) CDK4CCND3CCND1CCND2JAK3
SCHEMBL15163200 0.86 CDK4 (0.46) CDK4CCND3CCND1CCND2JAK3
SCHEMBL3721153 0.86 CDK4 (0.43) CDK4CCND3CCND1CCND2SYK
SCHEMBL15163102 0.83 TBK1 (0.44) CDK4CCND3CCND1CCND2CNR2
SCHEMBL1285231 0.81 TBK1 (0.58) MELKSTK17ATYK2
SCHEMBL3790797 0.80 XDH (0.35) XDH
SCHEMBL15163477 0.80 CDK4 (0.53) CDK4CCND3CCND1CCND2SYK
SCHEMBL1285233 0.76 CDK4 (0.38) CDK4CCND3CCND1CCND2SYK
SCHEMBL15163234 0.74 SYK (0.47) CDK4SYKJAK3JAK2JAK1
SCHEMBL3713884 0.71 CDK4 (0.48) CDK4CCND3CCND1CCND2SYK

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
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