SCHEMBL17306447

SCHEMBL17306447

c1ccc(-c2ccc3nc(-c4cc(-c5ccc(-c6ccccn6)cc5)cc(-c5ccc(-c6ccccc6)nc5)c4)nc(-c4ccccc4)c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.41
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ DHODH Q02127 1/20 0.39
▸ WHR1 P49842 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ HPGDS O60760 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38

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 0.96 PIK3CA (0.42) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL17306699 0.94 DHODH (0.43) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL17306754 0.94 DHODH (0.43) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL17306430 0.94 MTOR (0.45) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL17307080 0.94 DHODH (0.43) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL17307083 0.93 DHODH (0.42) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL17307074 0.92 WHR1 (0.45) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL17306478 0.92 WHR1 (0.45) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL17307097 0.91 CYP2A6 (0.43) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL17307087 0.91 CYP2A6 (0.43) MTORPIK3CDPIK3CAPIK3CGPIK3CB

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
Send feedback