SCHEMBL17306637

SCHEMBL17306637

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cn4)cc(-c4nc(-c5ccccc5)c5ccc(-c6ccccc6)cc5n4)c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ WHR1 P49842 1/20 0.43
▸ DHFR P00374 1/20 0.40
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ NUDT1 P36639 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ LDHA P00338 1/20 0.34

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
SCHEMBL17306453 0.93 HPGD (0.45) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306437 0.92 HPGD (0.45) MEN1KMT2AATMHPGDCSNK2A2
SCHEMBL17306607 0.92 MEN1 (0.40) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306430 0.90 MTOR (0.45) MEN1KMT2AATMWHR1HSD17B1
SCHEMBL17306442 0.89 MEN1 (0.48) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306599 0.89 MEN1 (0.55) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306609 0.88 HPGD (0.43) MEN1KMT2AATMWHR1HPGD
SCHEMBL17307040 0.87 MEN1 (0.46) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306658 0.87 MEN1 (0.46) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306606 0.87 MEN1 (0.46) MEN1KMT2AATMWHR1DHFR

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