SCHEMBL3363567

SCHEMBL3363567

Cc1cncc(Nc2nc(N[C@@H]3CCCCC3N)c(F)cc2C(N)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FER P16591 6/20 0.60
SYK P43405 14/20 0.57
MAPK3 P27361 3/20 0.55
MAPK1 P28482 3/20 0.55
KCNH2 Q12809 3/20 0.55
AURKB Q96GD4 3/20 0.55
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
SCHEMBL9108179 1.00 FER (0.60) FERSYKMAPK3MAPK1KCNH2
SCHEMBL14909843 1.00 FER (0.60) FERSYKMAPK3MAPK1KCNH2
SCHEMBL14929521 1.00 FER (0.60) FERSYKMAPK3MAPK1KCNH2
SCHEMBL14923817 1.00 FER (0.60) FERSYKMAPK3MAPK1KCNH2
Hydrochloric Acid SCHEMBL14911336 0.99 FER (0.59) FERSYKMAPK3MAPK1KCNH2
Hydrochloric Acid SCHEMBL14911333 0.99 FER (0.59) FERSYKMAPK3MAPK1KCNH2
SCHEMBL18926021 0.91 FER (0.49) FERSYKMAPK3MAPK1KCNH2
SCHEMBL20750789 0.91 FER (0.49) FERSYKMAPK3MAPK1KCNH2
SCHEMBL14910720 0.91 FER (0.53) FERSYKMAPK3MAPK1KCNH2
SCHEMBL14929853 0.91 FER (0.53) 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
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 WO disclosed