SCHEMBL20750756

SCHEMBL20750756

CNC1CCCC(F)(F)[C@H]1Nc1nc(Nc2cccnc2)c(C(N)=O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 11/20 0.49
▸ FER P16591 8/20 0.42
▸ MAPK3 P27361 4/20 0.41
▸ MAPK1 P28482 4/20 0.41
▸ KCNH2 Q12809 4/20 0.41
▸ AURKB Q96GD4 4/20 0.41
▸ GP6 Q9HCN6 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 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
SCHEMBL18925343 0.95 SYK (0.49) SYKFERMAPK3MAPK1KCNH2
SCHEMBL9110458 0.89 SYK (0.46) SYKFERMAPK3MAPK1KCNH2
SCHEMBL20750881 0.88 SYK (0.45) SYKFERMAPK3MAPK1KCNH2
SCHEMBL18925658 0.88 SYK (0.45) SYKFERMAPK3MAPK1KCNH2
SCHEMBL20750718 0.88 SYK (0.49) SYKFERMAPK3MAPK1KCNH2
SCHEMBL9103815 0.87 SYK (0.57) SYKFERMAPK3MAPK1KCNH2
SCHEMBL18925610 0.87 SYK (0.51) SYKFERMAPK3MAPK1KCNH2
SCHEMBL20750744 0.86 SYK (0.50) SYKFERMAPK3MAPK1KCNH2
SCHEMBL18926155 0.86 SYK (0.50) SYKFERMAPK3MAPK1KCNH2
SCHEMBL18926147 0.85 SYK (0.53) SYKFERMAPK3MAPK1KCNH2

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-B1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARM INC (US) 2019-02-20 — — EP disclosed
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