SCHEMBL13514616

SCHEMBL13514616

CC(C)(C)Nc1nc(N)cc(N)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 13/20 0.53
CDK2 P24941 2/20 0.53
RPS27 P42677 2/20 0.53
CCNA2 P20248 1/20 0.53
TTK P33981 1/20 0.53
MAPK9 P45984 8/20 0.39
KDM4E B2RXH2 3/20 0.35
PRKD3 O94806 4/20 0.33
MAP4K4 O95819 4/20 0.33
MAP4K2 Q12851 3/20 0.33
MAPK10 P53779 2/20 0.33
PKN2 Q16513 2/20 0.33
MAP4K5 Q9Y4K4 2/20 0.33
ITK Q08881 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
PRKD2 Q9BZL6 1/20 0.33
STK17A Q9UEE5 1/20 0.33
CHUK O15111 1/20 0.33
CLK2 P49760 1/20 0.33
PASK Q96RG2 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
SCHEMBL13514208 0.84 MAPK8 (0.43) MAPK8CDK2RPS27CCNA2TTK
SCHEMBL13514478 0.83 EGFR (0.42) MAPK8CDK2RPS27CCNA2TTK
SCHEMBL11702984 0.81 MAPK8 (0.43) MAPK8CDK2RPS27CCNA2TTK
SCHEMBL11447309 0.78 MAPK8 (0.62) MAPK8RPS27MAPK9KDM4EPRKD3
SCHEMBL13514490 0.77 LMNA (0.35) MAPK8CDK2RPS27CCNA2TTK
SCHEMBL13514459 0.74 MAPK8 (0.72) MAPK8CDK2RPS27CCNA2TTK
SCHEMBL8888556 0.72 MAPK8 (0.49) MAPK8MAPK9KDM4EMAPK10ALDH1A1
SCHEMBL11102054 0.71 ALDH1A1 (0.56) MAPK8RPS27KDM4ECHUKALDH1A1
SCHEMBL11701910 0.71 ADORA1 (0.52) MAPK8CDK2CCNA2MAPK9KDM4E
SCHEMBL8889038 0.71 MAPK8 (0.48) MAPK8MAPK9KDM4EMAPK10ALDH1A1

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-2010007756-A1 PYRIDINE DERIVATIVE HAVING TTK INHIBITION ACTIVITY 塩野義製薬株式会社 (JP) 2010-01-21 WO disclosed