SCHEMBL2712360

SCHEMBL2712360

NC(=O)c1cnc(Nc2cccc(N3CCNCC3)c2)cc1N(c1ccccc1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.45
▸ PRKD1 Q15139 1/20 0.42
▸ PRKD2 Q9BZL6 1/20 0.42
▸ STAT6 P42226 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ JAK3 P52333 4/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ MARK3 P27448 2/20 0.40
▸ MARK4 Q96L34 1/20 0.40
▸ HTR6 P50406 1/20 0.40

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 0.90 SYK (0.51) SYKSTAT6CDK4CCNA2CDK2
SCHEMBL2716322 0.88 SYK (0.47) SYKCCNA2CDK2JAK3MAPK8
SCHEMBL2713612 0.81 MAPK10 (0.55) SYKSTAT6MAPK8MAPK10
SCHEMBL2714357 0.80 SYK (0.54) SYKSTAT6JAK3JAK2IRAK4
SCHEMBL2713978 0.79 SYK (0.54) SYK
SCHEMBL2712299 0.77 SYK (0.55) SYKPRKD2JAK3JAK2JAK1
SCHEMBL2713291 0.77 JAK3 (0.45) SYKCCNA2CDK2JAK3JAK2
SCHEMBL2715238 0.77 FAAH (0.42) SYKJAK3JAK2IRAK4JAK1
SCHEMBL2697251 0.77 JAK3 (0.46) SYKPRKD1PRKD2STAT6CDK4
SCHEMBL2713024 0.76 JAK3 (0.38) SYKJAK3JAK2IRAK4JAK1

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 4 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 claimed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO claimed
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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