SCHEMBL2713612

SCHEMBL2713612

NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1N(c1ccccc1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 6/20 0.55
▸ MAPK9 P45984 3/20 0.55
▸ SYK P43405 4/20 0.51
▸ STAT6 P42226 10/20 0.50
▸ MAPK8 P45983 1/20 0.47
▸ EML4 Q9HC35 1/20 0.46
▸ ALK Q9UM73 1/20 0.46

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
SCHEMBL2714011 0.92 SYK (0.51) MAPK10MAPK9SYKSTAT6
SCHEMBL2714357 0.89 SYK (0.54) MAPK10MAPK9SYKSTAT6
SCHEMBL2713978 0.89 SYK (0.54) SYK
SCHEMBL2715553 0.88 SYK (0.49) MAPK10MAPK9SYKSTAT6
SCHEMBL2712299 0.86 SYK (0.55) MAPK10MAPK9SYKMAPK8
SCHEMBL2713052 0.85 MAPT (0.48) —
SCHEMBL2713291 0.83 JAK3 (0.45) SYK
SCHEMBL2712360 0.81 SYK (0.45) MAPK10SYKSTAT6MAPK8
SCHEMBL2713091 0.80 EGFR (0.44) SYK
SCHEMBL2716322 0.80 SYK (0.47) MAPK10SYKMAPK8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 — — EP disclosed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
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