SCHEMBL5027396

SCHEMBL5027396

NCC1[C@H](Nc2nc(Nc3cccnc3)c(C(N)=O)cc2F)CCCC1(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 12/20 0.46
▸ FER P16591 6/20 0.40
▸ JAK2 O60674 2/20 0.39
▸ JAK1 P23458 2/20 0.39
▸ MAPK3 P27361 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ AURKB Q96GD4 2/20 0.37

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
SCHEMBL9103815 0.89 SYK (0.57) SYKFERJAK2JAK1MAPK3
SCHEMBL18925343 0.87 SYK (0.49) SYKFERJAK2JAK1MAPK3
SCHEMBL20750756 0.85 SYK (0.49) SYKFERJAK2JAK1MAPK3
SCHEMBL9110458 0.84 SYK (0.46) SYKFERJAK2JAK1MAPK3
SCHEMBL9109865 0.82 SYK (0.60) SYKFERJAK2MAPK3MAPK1
SCHEMBL20750718 0.82 SYK (0.49) SYKFERJAK2JAK1MAPK3
SCHEMBL14910002 0.82 SYK (0.60) SYKFERJAK2MAPK3MAPK1
SCHEMBL2715375 0.77 SYK (0.56) SYKFERJAK2JAK1MAPK3
SCHEMBL18925591 0.77 SYK (0.56) SYKFERJAK2JAK1MAPK3
SCHEMBL9109214 0.77 SYK (0.53) SYKFERJAK2JAK1

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
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
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