SCHEMBL8227614

SCHEMBL8227614

CC(C)Nc1c(-c2ccnc(N[C@H]3CC[C@H](NS(C)(=O)=O)CC3)n2)cnn1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 6/20 0.57
MAPK8 P45983 5/20 0.57
MAPK10 P53779 3/20 0.57
CDK4 P11802 12/20 0.46
GSK3B P49841 8/20 0.46
CDK1 P06493 7/20 0.46
CCNB1 P14635 7/20 0.46
CCNB2 O95067 2/20 0.46
CCNB3 Q8WWL7 2/20 0.46
CDK2 P24941 7/20 0.46
CCND1 P24385 5/20 0.44
CCNA2 P20248 4/20 0.44
CCNA1 P78396 4/20 0.44
CCNE1 P24864 2/20 0.44
CCND3 P30281 1/20 0.44
CDK6 Q00534 1/20 0.44
CDC7 O00311 1/20 0.42
DAPK3 O43293 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42

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
SCHEMBL8235114 0.84 MAPK9 (0.56) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL8227608 0.81 MAPK9 (0.59) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL8236158 0.79 CDK4 (0.47) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL5314460 0.76 CDK4 (0.47) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL5314457 0.76 CDK4 (0.47) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL8233938 0.76 MAPK8 (0.54) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL5336074 0.75 CDK4 (0.51) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL5336071 0.75 CDK4 (0.51) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL5311802 0.74 PIK3C3 (0.58) MAPK9MAPK8CDK4GSK3BCDK1
SCHEMBL5311805 0.74 PIK3C3 (0.58) MAPK9MAPK8CDK4GSK3BCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007129195-A2 4-PYRIMIDINE-5-AMINO-PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-15 WO disclosed