SCHEMBL13126253

SCHEMBL13126253

CCOc1nc(N)nc(N[C@@H](CCCNC(C)=O)C(=O)Nc2cccc(CF)c2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 15/20 0.40
▸ MAPK9 P45984 13/20 0.40
▸ MAPK10 P53779 5/20 0.40
▸ PRKD2 Q9BZL6 3/20 0.40
▸ PRKD3 O94806 2/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ MAP4K2 Q12851 1/20 0.40
▸ PKN2 Q16513 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ RPS27 P42677 4/20 0.39
▸ CSF1R P07333 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3R2 O00459 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ KISS1R Q969F8 1/20 0.36
▸ AKT1 P31749 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35

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
SCHEMBL13126796 0.93 MAPK8 (0.38) MAPK8MAPK9MAPK10PRKD2PRKD3
SCHEMBL3459965 0.89 MAPK8 (0.39) MAPK8MAPK9MAPK10PRKD2PRKD3
SCHEMBL12946927 0.89 MAPK8 (0.42) MAPK8MAPK9MAPK10PRKD2PRKD3
SCHEMBL12947166 0.89 MAPK8 (0.41) MAPK8MAPK9MAPK10PRKD2PRKD3
SCHEMBL12947069 0.89 MAPK8 (0.41) MAPK8MAPK9MAPK10PRKD2PRKD3
SCHEMBL12946905 0.88 MAPK8 (0.43) MAPK8MAPK9MAPK10PRKD2PRKD3
SCHEMBL12946555 0.88 MAPK8 (0.42) MAPK8MAPK9MAPK10PRKD2PRKD3
SCHEMBL12947099 0.87 MAPK8 (0.41) MAPK8MAPK9MAPK10PRKD2PRKD3
SCHEMBL13125823 0.86 MEN1 (0.46) PIK3CDPIK3R2PIK3CGKISS1R
SCHEMBL12947098 0.85 MAPK8 (0.41) MAPK8MAPK9MAPK10PRKD3RPS27

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
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
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