SCHEMBL2714357

SCHEMBL2714357

NC(=O)c1cnc(Nc2ccc(N3CCC(F)(F)CC3)cc2)cc1N(c1ccccc1)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 11/20 0.54
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ STAT6 P42226 2/20 0.42
▸ JAK3 P52333 5/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41

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
SCHEMBL2713612 0.89 MAPK10 (0.55) SYKMAPK9MAPK10STAT6
SCHEMBL2713978 0.87 SYK (0.54) SYK
SCHEMBL2712299 0.85 SYK (0.55) SYKMAPK9MAPK10JAK3JAK2
SCHEMBL2714011 0.82 SYK (0.51) SYKMAPK9MAPK10STAT6JAK2
SCHEMBL2714883 0.82 SYK (0.47) SYKMAPK9MAPK10BTKSTAT6
SCHEMBL2712360 0.80 SYK (0.45) SYKMAPK10STAT6JAK3IRAK4
SCHEMBL2715553 0.79 SYK (0.49) SYKMAPK9MAPK10STAT6JAK3
SCHEMBL2716322 0.79 SYK (0.47) SYKMAPK10JAK3
SCHEMBL2716479 0.78 SYK (0.53) SYK
SCHEMBL2713076 0.77 JAK3 (0.43) JAK3IRAK4JAK2JAK1TYK2

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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