SCHEMBL1040579

SCHEMBL1040579

Fc1cccc(F)c1-n1ncnc1C1=CCCC=C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
EGLN2 Q96KS0 1/20 0.30

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
SCHEMBL12611697 0.75 P2RX7 (0.37) GABRG2GABRB3GABRA5
SCHEMBL1041825 0.70 ADRA1D (0.35)
SCHEMBL28298056 0.70 GABRG2 (0.40) GABRG2GABRB3GABRA5EGLN2
SCHEMBL15398023 0.67 ADRA1A (0.39)
SCHEMBL20799548 0.66 ACHE (0.38)
SCHEMBL10758728 0.64 GABRG2 (0.36) GABRG2GABRB3GABRA5EGLN2
SCHEMBL20684766 0.64 GABRG2 (0.34) GABRG2GABRB3GABRA5EGLN2
SCHEMBL21729074 0.60
SCHEMBL8275605 0.60 CYP11B2 (0.34)
SCHEMBL1930706 0.59

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP disclosed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed