SCHEMBL2441983

SCHEMBL2441983

Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(CC(C)(C)CO[Si](C)(C)C(C)(C)C)cc(S[C@H]3CCN(C(=O)OC(C)(C)C)[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.35
CYP2C9 P11712 4/20 0.35
MAPK13 O15264 13/20 0.33
BUB1 O43683 1/20 0.31
PRKACG P22612 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
MAPK11 Q15759 1/20 0.31
ACSL5 Q9ULC5 1/20 0.31
STK24 Q9Y6E0 1/20 0.31

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
SCHEMBL1724436 0.95 MAPK14 (0.35) MAPK14CYP2C9MAPK13BUB1PRKACG
SCHEMBL2396457 0.86 MAPK14 (0.41) MAPK14CYP2C9MAPK13BUB1PRKACG
SCHEMBL2441986 0.85 MAPK13 (0.36) MAPK14CYP2C9MAPK13
SCHEMBL1722786 0.84 MAPK14 (0.40) MAPK14CYP2C9MAPK13BUB1PRKACG
SCHEMBL2394065 0.83
SCHEMBL3313067 0.78
SCHEMBL1725054 0.77 MAPK14 (0.40) MAPK14CYP2C9MAPK13
SCHEMBL2394931 0.76 MAPK14 (0.47) MAPK14CYP2C9MAPK13
SCHEMBL2395459 0.76 MAPK14 (0.41) MAPK14CYP2C9MAPK13
SCHEMBL2394923 0.76 MAPK14 (0.45) MAPK14CYP2C9MAPK13

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-8012980-B2 Isoquinolinone derivatives ASTRAZENECA AB (SE) 2011-09-06 US disclosed