SCHEMBL17306598

SCHEMBL17306598

c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)c5ccc(-c6ccccc6)cc5n4)cc(-c4cc5cccnc5c5ncccc45)c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ WHR1 P49842 1/20 0.38
▸ CCR1 P32246 2/20 0.37
▸ CCR8 P51685 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HPGD P15428 2/20 0.36
▸ TOP1 P11387 4/20 0.36
▸ DHFR P00374 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ PDE4A P27815 1/20 0.32

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
SCHEMBL17306595 0.94 MEN1 (0.39) MEN1KMT2AATMWHR1CCR1
SCHEMBL17306597 0.87 MEN1 (0.33) MEN1KMT2AATMWHR1CCR1
SCHEMBL17306615 0.86 MEN1 (0.48) MEN1KMT2AATMWHR1HPGD
SCHEMBL17306731 0.85 MEN1 (0.49) MEN1KMT2AATMWHR1HPGD
SCHEMBL22963184 0.84 MEN1 (0.47) MEN1KMT2AATMWHR1CCR1
SCHEMBL22963420 0.84 MEN1 (0.50) MEN1KMT2AATMWHR1CCR1
SCHEMBL22963277 0.84 MEN1 (0.50) MEN1KMT2AATMWHR1CCR1
SCHEMBL22963396 0.84 MEN1 (0.47) MEN1KMT2AATMWHR1CCR1
SCHEMBL22963529 0.84 MEN1 (0.47) MEN1KMT2AATMWHR1CCR1
SCHEMBL17306596 0.83 MEN1 (0.41) MEN1KMT2AATMWHR1HPGD

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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