SCHEMBL8091996

SCHEMBL8091996

O=Cc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 15/20 0.68
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
PDE5A O76074 5/20 0.67
MAPT P10636 3/20 0.67
ABCB1 P08183 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
TP53 P04637 1/20 0.67
KDM4E B2RXH2 1/20 0.63
MAPK1 P28482 1/20 0.63
ABCC1 P33527 1/20 0.62

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
SCHEMBL1063103 0.82 ABCG2 (1.00) ABCG2MEN1KMT2APDE5AMAPT
SCHEMBL13945461 0.81 MEN1 (0.97) ABCG2MEN1KMT2APDE5AMAPT
SCHEMBL5104228 0.80 ABCG2 (1.00) ABCG2MEN1KMT2APDE5AMAPT
SCHEMBL1058652 0.80 ABCG2 (1.00) ABCG2MEN1KMT2APDE5AMAPT
SCHEMBL27066418 0.79 ABCG2 (0.72) ABCG2MEN1KMT2APDE5AMAPT
SCHEMBL1083771 0.79 MEN1 (0.98) ABCG2MEN1KMT2APDE5AMAPT
SCHEMBL5104461 0.78 ABCG2 (0.79) ABCG2MEN1KMT2APDE5AMAPT
SCHEMBL13969181 0.78 ABCG2 (0.76) ABCG2MEN1KMT2APDE5AMAPT
SCHEMBL1063481 0.77 ABCG2 (1.00) ABCG2MEN1KMT2APDE5AMAPT
SCHEMBL1063549 0.77 ABCG2 (1.00) ABCG2MEN1KMT2AMAPTABCB1

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-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 WO disclosed