SCHEMBL16619367

SCHEMBL16619367

NCCc1oc2ccc(F)cc2c(=O)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.50
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
PIK3CD O00329 2/20 0.43
PIK3R2 O00459 2/20 0.43
PIK3CG P48736 2/20 0.43
GABRP O00591 5/20 0.43
GABRD O14764 5/20 0.43
GABRA1 P14867 5/20 0.43
GABRB1 P18505 5/20 0.43
GABRG2 P18507 5/20 0.43
GABRB3 P28472 5/20 0.43
GABRA5 P31644 5/20 0.43
GABRA3 P34903 5/20 0.43
GABRA2 P47869 5/20 0.43
GABRB2 P47870 5/20 0.43
GABRA4 P48169 5/20 0.43
GABRE P78334 5/20 0.43
GABRA6 Q16445 5/20 0.43
GABRG1 Q8N1C3 5/20 0.43

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
SCHEMBL8648 0.87 TNKS (0.50) TNKSCA1CA2PIK3CDPIK3R2
SCHEMBL11500 0.87 TNKS (0.50) TNKSCA1CA2PIK3CDPIK3R2
SCHEMBL15528315 0.87 TNKS (0.50) TNKSCA1CA2PIK3CDPIK3R2
SCHEMBL8656 0.86 GABRP (0.49) CA1CA2GABRPGABRDGABRA1
SCHEMBL15528300 0.85 GABRP (0.50) TNKSCA1CA2PIK3CDPIK3CG
SCHEMBL9282 0.84 TNKS (0.52) TNKSCA1CA2PIK3CDPIK3R2
SCHEMBL8910 0.84 TNKS (0.52) TNKSCA1CA2PIK3CDPIK3R2
SCHEMBL15528175 0.81 TNKS (0.44) TNKSCA1CA2PIK3CDPIK3R2
SCHEMBL15528285 0.78 GABRP (0.51) TNKSCA1CA2PIK3CDPIK3R2
SCHEMBL8932 0.78 GABRP (0.51) TNKSCA1CA2PIK3CDPIK3CG

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-2015051241-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-09 WO disclosed