SCHEMBL17306803

SCHEMBL17306803

c1ccc(-c2ccc3nc(-c4cc(-c5cccc6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c4)nc(-c4ccccc4)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ATM Q13315 2/20 0.42
▸ WHR1 P49842 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ MAPT P10636 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PIK3CA P42336 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PIK3CG P48736 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
SCHEMBL17306797 0.93 ATM (0.46) MEN1KMT2AATMWHR1CA12
SCHEMBL17306709 0.87 MEN1 (0.43) MEN1KMT2AATMWHR1MAPT
SCHEMBL17306473 0.86 WHR1 (0.39) MEN1KMT2AATMWHR1MAPT
SCHEMBL17306731 0.85 MEN1 (0.49) MEN1KMT2AATMWHR1MAPT
SCHEMBL17307077 0.85 HSD17B10 (0.39) MEN1KMT2AATMWHR1MAPT
SCHEMBL17306681 0.84 ATM (0.48) MEN1KMT2AATMWHR1CA12
SCHEMBL17306615 0.84 MEN1 (0.48) MEN1KMT2AATMWHR1MAPT
SCHEMBL24472811 0.84 ATM (0.50) MEN1KMT2AATMWHR1MAPT
SCHEMBL17306799 0.84 KMT2A (0.47) MEN1KMT2AATMWHR1MAPT
SCHEMBL18503977 0.82 MEN1 (0.55) MEN1KMT2AATMWHR1CA12

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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