SCHEMBL17306430

SCHEMBL17306430

c1ccc(-c2ccc3nc(-c4cc(-c5ccc(-c6ccccc6)nc5)cc(-c5ccc(-c6ccccc6)nc5)c4)nc(-c4ccccc4)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.45
▸ PIK3CA P42336 2/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ WHR1 P49842 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ MAPK10 P53779 1/20 0.37
▸ LDHA P00338 1/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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 0.94 MTOR (0.41) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17307085 0.90 PIK3CA (0.42) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17306637 0.90 MEN1 (0.46) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17306694 0.88 WHR1 (0.48) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17306768 0.88 WHR1 (0.48) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17307093 0.87 KMT2A (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17306754 0.87 DHODH (0.43) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17307080 0.87 DHODH (0.43) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17306699 0.87 DHODH (0.43) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17306669 0.86 MEN1 (0.50) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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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