SCHEMBL17306656

SCHEMBL17306656

c1ccc(-c2cc(-c3ncccn3)cc(-c3nc(-c4ccccc4)c4ccc(-c5ccccc5)cc4n3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ WHR1 P49842 1/20 0.46
▸ DHFR P00374 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ ALK Q9UM73 2/20 0.40
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ NUDT1 P36639 3/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ HRH4 Q9H3N8 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
SCHEMBL17306620 0.99 MEN1 (0.50) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306599 0.93 MEN1 (0.55) MEN1KMT2AATMWHR1DHFR
SCHEMBL17307048 0.92 MEN1 (0.43) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306658 0.91 MEN1 (0.46) MEN1KMT2AATMWHR1DHFR
SCHEMBL17307040 0.91 MEN1 (0.46) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306606 0.91 MEN1 (0.46) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306578 0.90 HPGD (0.49) MEN1KMT2AATMWHR1HPGD
SCHEMBL17307021 0.90 HPGD (0.49) MEN1KMT2AATMWHR1HPGD
SCHEMBL17306442 0.90 MEN1 (0.48) MEN1KMT2AATMWHR1DHFR
SCHEMBL17307058 0.90 WHR1 (0.47) MEN1KMT2AATMWHR1MKNK1

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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