SCHEMBL10180924

SCHEMBL10180924

CCOc1nc(N)nc(NC(=O)[C@H](C)N(C)c2cccc(OC(F)(F)F)c2)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 15/20 0.42
▸ MAPK9 P45984 15/20 0.42
▸ PRKD3 O94806 2/20 0.42
▸ MAPK10 P53779 5/20 0.40
▸ PRKD2 Q9BZL6 2/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ PKN2 Q16513 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38
▸ RPS27 P42677 2/20 0.38
▸ ADORA1 P30542 2/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ POLQ O75417 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RPS6KB2 Q9UBS0 1/20 0.36
▸ KCNB1 Q14721 1/20 0.36

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
SCHEMBL965134 0.91 ADORA1 (0.38) MAPK8MAPK9MAPK10ADORA1ADORA2A
SCHEMBL10180844 0.89 MAPK8 (0.43) MAPK8MAPK9PRKD3MAPK10PRKD2
SCHEMBL10180598 0.86 MAPK8 (0.45) MAPK8MAPK9PRKD3MAPK10PRKD2
SCHEMBL10180469 0.85 MEN1 (0.41) ADORA1ADORA2A
SCHEMBL12946926 0.84 MAPK8 (0.42) MAPK8MAPK9PRKD3MAPK10PRKD2
SCHEMBL10180545 0.82 MAPK8 (0.41) MAPK8MAPK9PRKD3MAP4K4MAP4K2
SCHEMBL12947084 0.81 MAPK8 (0.43) MAPK8MAPK9PRKD3MAPK10PRKD2
SCHEMBL10180785 0.79 PIK3CD (0.37) MAPK8MAPK9POLQ
SCHEMBL10180692 0.76 MAPK8 (0.38) MAPK8MAPK9PRKD3MAPK10ADORA1
SCHEMBL10180176 0.76 MAPK8 (0.38) MAPK8MAPK9PRKD3MAPK10PRKD2

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP claimed
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