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SCHEMBL2441986

SCHEMBL2441986

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)O)[C@](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)(C(C)(C)C)C3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 16/20 0.36
▸ MAPK14 Q16539 4/20 0.34
▸ CYP2C9 P11712 2/20 0.34

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 0.87 MAPK14 (0.35) MAPK13MAPK14CYP2C9
SCHEMBL1722786 0.85 MAPK14 (0.40) MAPK13MAPK14CYP2C9
SCHEMBL2441983 0.85 MAPK14 (0.35) MAPK13MAPK14CYP2C9
SCHEMBL2396457 0.83 MAPK14 (0.41) MAPK13MAPK14CYP2C9
SCHEMBL2394070 0.83 — —
SCHEMBL2394931 0.77 MAPK14 (0.47) MAPK13MAPK14CYP2C9
SCHEMBL2394923 0.76 MAPK14 (0.45) MAPK13MAPK14CYP2C9
SCHEMBL2396041 0.76 MAPK14 (0.44) MAPK13MAPK14CYP2C9
SCHEMBL2392468 0.75 MAPK14 (0.40) MAPK13MAPK14CYP2C9
SCHEMBL2398373 0.75 MAPK14 (0.41) MAPK13MAPK14CYP2C9

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