SCHEMBL17306442

SCHEMBL17306442

c1ccc(-c2ccc(-c3cc(-c4ncc(-c5ccccc5)cn4)cc(-c4nc(-c5ccccc5)c5ccc(-c6ccccc6)cc5n4)c3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ NFKB2 Q00653 2/20 0.46
▸ RELA Q04206 2/20 0.46
▸ WHR1 P49842 1/20 0.45
▸ DHFR P00374 1/20 0.42
▸ HPGD P15428 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ MAPT P10636 2/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37

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
SCHEMBL17306439 0.94 HPGD (0.47) MEN1KMT2AATMNPC1RAB9A
SCHEMBL17306461 0.92 HPGD (0.47) MEN1KMT2AATMHPGDMAPT
SCHEMBL17306599 0.91 MEN1 (0.55) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306656 0.90 MEN1 (0.49) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306440 0.90 HPGD (0.47) MEN1KMT2AATMWHR1HPGD
SCHEMBL17306637 0.89 MEN1 (0.46) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306620 0.89 MEN1 (0.50) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306667 0.86 MEN1 (0.50) MEN1KMT2AATMRAB9ASMN1; SMN2
SCHEMBL17307033 0.86 MEN1 (0.50) MEN1KMT2AATMRAB9ASMN1; SMN2
SCHEMBL17306432 0.85 PIK3CA (0.47) MEN1KMT2AATMNPC1RAB9A

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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