SCHEMBL1668082

SCHEMBL1668082

COc1ccc(F)cc1-c1cccc(-n2cnc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
PLK1 P53350 1/20 0.45
FGFR1 P11362 8/20 0.45
SRC P12931 4/20 0.45
KDR P35968 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KIT P10721 2/20 0.41
FLT3 P36888 2/20 0.41
BACE1 P56817 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
SCHEMBL2191786 0.93 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761905 0.92 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761842 0.91 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761869 0.90 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12415806 0.87 FGFR1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761745 0.85 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1762148 0.83 FGFR1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761783 0.83 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761970 0.82 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1616701 0.82 FGFR1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3

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-2011047315-A1 SUBSITITUTED BENZIMIDAZOLES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed