SCHEMBL4564089

SCHEMBL4564089

N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nc(OC(=O)O)cn23)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.56
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3A P49840 1/20 0.43
LIMK1 P53667 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
SLK Q9H2G2 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.39
IDH1 O75874 1/20 0.37
DPP4 P27487 8/20 0.35
DPP7 Q9UHL4 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
P2RX3 P56373 1/20 0.33
CCR6 P51684 1/20 0.33

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
SCHEMBL3613597 0.88 GSK3B (0.64) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL10270178 0.85 GSK3B (0.56) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL3602835 0.84 GSK3B (0.53) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL3607564 0.82 GSK3B (0.51) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL4555186 0.82 DPP4 (0.38) GSK3BGSK3ACLK4DPP4DPP7
SCHEMBL12680897 0.82 GSK3B (0.53) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL12680898 0.81 GSK3B (0.52) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL10270180 0.81 GSK3B (0.53) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL3611415 0.81 GSK3B (0.52) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL10270311 0.81 GSK3B (0.58) GSK3BCCNB2CDK1CCNB1RPS6KB1

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-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed
EP-2137188-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-30 EP disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 WO disclosed