SCHEMBL17306751

SCHEMBL17306751

c1ccc(-c2ccc3c(-c4ccccc4)nc(-c4cc(-c5cccc6ccccc56)cc(-c5c6ccccc6cc6ccccc56)c4)nc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ WHR1 P49842 1/20 0.38
▸ CA12 O43570 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ DHFR P00374 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL17306681 0.92 ATM (0.48) ATMMEN1KMT2AWHR1CA12
SCHEMBL17306672 0.92 MEN1 (0.50) ATMMEN1KMT2AWHR1DHFR
SCHEMBL17306594 0.91 MEN1 (0.49) ATMMEN1KMT2AWHR1DHFR
SCHEMBL17306674 0.85 ATM (0.42) ATMMEN1KMT2AWHR1CA12
SCHEMBL17306797 0.83 ATM (0.46) ATMMEN1KMT2AWHR1CA12
SCHEMBL17306731 0.83 MEN1 (0.49) ATMMEN1KMT2AWHR1DHFR
SCHEMBL18503977 0.83 MEN1 (0.55) ATMMEN1KMT2AWHR1CA12
SCHEMBL17306862 0.83 MEN1 (0.40) ATMMEN1KMT2AWHR1DHFR
SCHEMBL17306874 0.82 HPGD (0.45) ATMMEN1KMT2AALDH1A1MAPT
SCHEMBL17306615 0.82 MEN1 (0.48) ATMMEN1KMT2AWHR1DHFR

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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