SCHEMBL18925830

SCHEMBL18925830

CNC1COCC[C@H]1N(C)c1nc(Nc2cccc(-n3cccn3)c2)c(C(N)=O)cc1F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 18/20 0.56
▸ CHRM1 P11229 1/20 0.42
▸ KCNH2 Q12809 3/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ MAPK3 P27361 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PRKCQ Q04759 1/20 0.38

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
SCHEMBL18925584 0.83 SYK (0.47) SYKKCNH2PRKCQ
SCHEMBL18925663 0.81 SYK (0.49) SYKKCNH2AURKBMAPK3MAPK1
SCHEMBL18925535 0.80 SYK (0.65) SYKKCNH2AURKBMAPK3MAPK1
SCHEMBL18925816 0.80 SYK (0.40) SYKKCNH2AURKBMAPK3MAPK1
SCHEMBL18925617 0.79 SYK (0.62) SYKKCNH2
SCHEMBL2726896 0.79 SYK (0.76) SYKKCNH2AURKBMAPK3MAPK1
SCHEMBL18925609 0.78 JAK1 (0.47) SYKKCNH2AURKBMAPK3MAPK1
SCHEMBL20750861 0.78 SYK (0.56) SYKKCNH2
SCHEMBL18926150 0.76 SYK (0.47) SYKKCNH2AURKBMAPK3MAPK1
SCHEMBL20750820 0.74 SYK (0.54) SYKKCNH2

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
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 — — EP disclosed
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