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SCHEMBL2716322

SCHEMBL2716322

CC(=O)N1CCN(c2cccc(Nc3cc(N(c4ccccc4)C4CC4)c(C(N)=O)cn3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 17/20 0.47
▸ CCNT1 O60563 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ MAPK8 P45983 1/20 0.42
▸ MAPK10 P53779 1/20 0.42

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
SCHEMBL2713978 0.92 SYK (0.54) SYK
SCHEMBL2712360 0.88 SYK (0.45) SYKCCNA2CDK2JAK3MAPK8
SCHEMBL2714011 0.88 SYK (0.51) SYKCCNA2CDK2MAPK10
SCHEMBL2713600 0.86 WNT3A (0.48) SYK
SCHEMBL2712299 0.83 SYK (0.55) SYKJAK3MAPK8MAPK10
SCHEMBL2716479 0.81 SYK (0.53) SYK
SCHEMBL2713612 0.80 MAPK10 (0.55) SYKMAPK8MAPK10
SCHEMBL2714357 0.79 SYK (0.54) SYKJAK3MAPK10
SCHEMBL2696712 0.78 SYK (0.58) SYK
SCHEMBL2694968 0.77 SYK (0.47) SYKCCNT1CCNA2CDK2CDK9

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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