SCHEMBL17306599

SCHEMBL17306599

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)c4ccc(-c5ccccc5)cc4n3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ATM Q13315 1/20 0.55
▸ WHR1 P49842 1/20 0.51
▸ DHFR P00374 1/20 0.49
▸ HPGD P15428 3/20 0.43
▸ NUDT1 P36639 3/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HRH4 Q9H3N8 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
SCHEMBL17307033 0.94 MEN1 (0.50) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306667 0.94 MEN1 (0.50) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306446 0.93 HPGD (0.53) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306587 0.93 HPGD (0.53) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306656 0.93 MEN1 (0.49) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306738 0.93 MEN1 (0.49) MEN1KMT2AATMWHR1DHFR
SCHEMBL17307036 0.93 HPGD (0.53) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306462 0.93 MEN1 (0.49) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306743 0.93 MEN1 (0.49) MEN1KMT2AATMWHR1DHFR
SCHEMBL17306442 0.91 MEN1 (0.48) 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
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