SCHEMBL16215548

SCHEMBL16215548

Cc1ncc(Nc2nc(N[C@@H]3CCCCC3N)c(F)cc2C(N)=O)cn1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FER P16591 6/20 0.57
SYK P43405 14/20 0.56
MAPK3 P27361 3/20 0.56
MAPK1 P28482 3/20 0.56
KCNH2 Q12809 3/20 0.56
AURKB Q96GD4 3/20 0.56
GP6 Q9HCN6 1/20 0.55

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
SCHEMBL15081537 1.00 FER (0.57) FERSYKMAPK3MAPK1KCNH2
SCHEMBL16169441 1.00 FER (0.57) FERSYKMAPK3MAPK1KCNH2
SCHEMBL16171097 1.00 FER (0.57) FERSYKMAPK3MAPK1KCNH2
SCHEMBL16164685 0.90 FER (0.55) FERSYKMAPK3MAPK1KCNH2
SCHEMBL14910022 0.89 SYK (0.58) FERSYKMAPK3MAPK1KCNH2
SCHEMBL14928662 0.89 FER (0.54) FERSYKMAPK3MAPK1KCNH2
SCHEMBL10250818 0.89 SYK (0.58) FERSYKMAPK3MAPK1KCNH2
SCHEMBL3387186 0.89 SYK (0.58) FERSYKMAPK3MAPK1KCNH2
SCHEMBL14910975 0.89 FER (0.54) FERSYKMAPK3MAPK1KCNH2
SCHEMBL9106129 0.89 SYK (0.56) FERSYKMAPK3MAPK1KCNH2

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-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 EP disclosed