SCHEMBL10327539

SCHEMBL10327539

CCOc1nc(N)nc(NNC(=O)Nc2cccc(C)c2)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 15/20 0.51
▸ MAPK9 P45984 12/20 0.51
▸ TP53 P04637 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPK10 P53779 4/20 0.44
▸ PRKD3 O94806 2/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ MAP4K2 Q12851 1/20 0.44
▸ PKN2 Q16513 1/20 0.44
▸ PRKD2 Q9BZL6 1/20 0.44
▸ STK17A Q9UEE5 1/20 0.44
▸ RPS27 P42677 4/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ IMPDH2 P12268 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL963926 0.87 ALDH1A1 (0.48) MAPK8MAPK9MAPK10PRKD3MAP4K4
SCHEMBL967392 0.77 LMNA (0.53) MEN1POLBKMT2A
SCHEMBL10327468 0.76 MAPK8 (0.50) MAPK8MAPK9TP53CASP1CASP7
SCHEMBL12946808 0.72 MAPK8 (0.45) MAPK8MAPK9MAPK10PRKD3MAP4K4
SCHEMBL3461151 0.71 MAPK8 (0.44) MAPK8MAPK9TP53MAPK10PRKD3
SCHEMBL12946905 0.71 MAPK8 (0.43) MAPK8MAPK9MAPK10PRKD3MAP4K4
SCHEMBL10180413 0.71 MAPK8 (0.42) MAPK8MAPK9TP53MAPK10PRKD3
SCHEMBL13514135 0.71 MAPK8 (0.66) MAPK8MAPK9MAPK10PRKD3MAP4K4
SCHEMBL12947166 0.70 MAPK8 (0.41) MAPK8MAPK9MAPK10PRKD3MAP4K4
SCHEMBL12946555 0.70 MAPK8 (0.42) MAPK8MAPK9MAPK10PRKD3MAP4K4

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 disclosed
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