SCHEMBL17307085

SCHEMBL17307085

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)nc4)cc(-c4nc(-c5ccccc5)c5cc(-c6ccccc6)ccc5n4)c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ HPGDS O60760 2/20 0.41
▸ WHR1 P49842 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 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
SCHEMBL17306447 0.96 MTOR (0.41) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL17307097 0.94 CYP2A6 (0.43) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL17307087 0.94 CYP2A6 (0.43) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL17306699 0.90 DHODH (0.43) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL17307080 0.90 DHODH (0.43) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL17306430 0.90 MTOR (0.45) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL17306754 0.90 DHODH (0.43) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL17307074 0.90 WHR1 (0.45) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL17306478 0.90 WHR1 (0.45) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL17307095 0.90 MAPKAPK2 (0.41) PIK3CAPIK3CDPIK3CBMTORPIK3CG

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-2015182769-A1 QUINAZOLINE AND BENZOQUINAZOLINE COMPOUNDS AND PRODUCTION AND USE OF SAME 東ソー株式会社 2015-12-03 — — WO disclosed
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