SCHEMBL17307095

SCHEMBL17307095

CCc1ccc(-c2ccc3nc(-c4cc(-c5ccc(-c6ccccn6)nc5)cc(-c5ncccn5)c4)nc(-c4ccccc4)c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.41
▸ HIF1A Q16665 4/20 0.37
▸ WHR1 P49842 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ HPGDS O60760 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33

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
SCHEMBL17307085 0.90 PIK3CA (0.42) HIF1AWHR1PIK3CDPIK3CAPIK3CB
SCHEMBL17306447 0.87 MTOR (0.41) HIF1AWHR1PIK3CDPIK3CAPIK3CB
SCHEMBL17307087 0.85 CYP2A6 (0.43) HIF1APIK3CDPIK3CAPIK3CBMTOR
SCHEMBL17307097 0.85 CYP2A6 (0.43) HIF1APIK3CDPIK3CAPIK3CBMTOR
SCHEMBL17307086 0.81 WHR1 (0.42) HIF1AWHR1PIK3CDPIK3CAPIK3CB
SCHEMBL17307080 0.81 DHODH (0.43) HIF1AWHR1PIK3CDPIK3CAPIK3CB
SCHEMBL17306699 0.81 DHODH (0.43) HIF1AWHR1PIK3CDPIK3CAPIK3CB
SCHEMBL17306430 0.81 MTOR (0.45) WHR1PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL17306754 0.81 DHODH (0.43) HIF1AWHR1PIK3CDPIK3CAPIK3CB
SCHEMBL17306478 0.81 WHR1 (0.45) HIF1AWHR1PIK3CDPIK3CAPIK3CB

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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