SCHEMBL3790571

SCHEMBL3790571

NCCCn1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 9/20 0.68
CDK4 P11802 5/20 0.58
AURKA O14965 4/20 0.58
CCND1 P24385 2/20 0.56
CCND2 P30279 2/20 0.56
CCND3 P30281 2/20 0.56
RPS6KA3 P51812 1/20 0.54
SYK P43405 1/20 0.54
CDK1 P06493 2/20 0.52
CCNB2 O95067 1/20 0.52
CCNE2 O96020 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNA2 P20248 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
CCNA1 P78396 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52
FGFR4 P22455 1/20 0.49
JAK2 O60674 1/20 0.49
BRD4 O60885 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
SCHEMBL15163242 0.90 STAT6 (0.67) STAT6CDK4AURKACCND1CCND2
SCHEMBL3711062 0.89 STAT6 (0.58) STAT6CDK4AURKACCND3RPS6KA3
SCHEMBL1284873 0.89 STAT6 (0.55) STAT6CDK4AURKACCND1CCND2
SCHEMBL3790567 0.85 STAT6 (0.65) STAT6CDK4AURKACCND1CCND2
SCHEMBL3711931 0.84 JAK2 (0.53) STAT6CDK4CCND1CCND3CDK1
SCHEMBL15163089 0.83 STAT6 (0.62) STAT6CDK4AURKACCND1CCND2
SCHEMBL3711049 0.82 JAK3 (0.49) STAT6JAK2AURKBKDRIGF1R
SCHEMBL1284538 0.81 TBK1 (0.71) STAT6CDK4AURKACCND1CCND2
SCHEMBL3718766 0.80 PAK1 (0.49) STAT6CDK4AURKACCND1CCND2
SCHEMBL3795187 0.80 TBK1 (0.70) STAT6AURKARPS6KA3SYKCDK1

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