SCHEMBL18925676

SCHEMBL18925676

CN[C@H]1CCCC[C@H]1N(C)c1nc(Nc2cccnc2)c(C(N)=O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 12/20 0.44
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ LATS1 O95835 1/20 0.41
▸ FER P16591 6/20 0.39
▸ MAPK3 P27361 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ GP6 Q9HCN6 1/20 0.39

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
SCHEMBL20750779 0.86 SYK (0.51) SYK
SCHEMBL20750718 0.84 SYK (0.49) SYKJAK2JAK1FERMAPK3
SCHEMBL20750861 0.83 SYK (0.56) SYKJAK2KCNH2
SCHEMBL18925881 0.82 SYK (0.46) SYKJAK2JAK1MAPK3MAPK1
SCHEMBL18925609 0.77 JAK1 (0.47) SYKJAK2JAK1MAPK3MAPK1
SCHEMBL9109865 0.77 SYK (0.60) SYKJAK2FERMAPK3MAPK1
SCHEMBL14910002 0.77 SYK (0.60) SYKJAK2FERMAPK3MAPK1
SCHEMBL20750756 0.76 SYK (0.49) SYKJAK2JAK1FERMAPK3
SCHEMBL18925343 0.75 SYK (0.49) SYKJAK2JAK1FERMAPK3
SCHEMBL3358796 0.74 SYK (0.46) SYK

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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