SCHEMBL10180844

SCHEMBL10180844

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 15/20 0.43
▸ MAPK9 P45984 15/20 0.43
▸ PRKD3 O94806 2/20 0.43
▸ MAPK10 P53779 5/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ MAP4K2 Q12851 1/20 0.39
▸ PKN2 Q16513 1/20 0.39
▸ PRKD2 Q9BZL6 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ POLQ O75417 4/20 0.39
▸ RPS27 P42677 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL10180545 0.94 MAPK8 (0.41) MAPK8MAPK9PRKD3MAP4K4MAP4K2
SCHEMBL10180785 0.91 PIK3CD (0.37) MAPK8MAPK9POLQ
SCHEMBL10180924 0.89 MAPK8 (0.42) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL10180598 0.87 MAPK8 (0.45) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL10180176 0.87 MAPK8 (0.38) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL10327289 0.84 MAPK8 (0.43) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL3461155 0.83 MAPK8 (0.44) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL10181273 0.83 PIK3CD (0.37) MAPK8MAPK9POLQALDH1A1
SCHEMBL3460097 0.82 MAPK8 (0.40) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL964987 0.81 POLQ (0.41) MAPK8MAPK9PRKD3MAPK10MAP4K4

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
Send feedback