SCHEMBL17306469

SCHEMBL17306469

c1ccc(-c2ccc3nc(-c4cc(-c5cccc(-c6ccccn6)n5)cc(-c5c6ccccc6cc6ccccc56)c4)nc(-c4ccccc4)c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CCR1 P32246 2/20 0.38
▸ CCR5 P51681 2/20 0.38
▸ CCR8 P51685 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HIF1A Q16665 2/20 0.36

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
SCHEMBL17306487 0.92 DHODH (0.40) LMNAKDM4ETP53SMN1; SMN2MAPK1
SCHEMBL17306798 0.86 KMT2A (0.44) LMNAKDM4ETP53SMN1; SMN2MAPK1
SCHEMBL17306862 0.85 MEN1 (0.40) LMNAKDM4ETP53SMN1; SMN2MAPK1
SCHEMBL17306478 0.84 WHR1 (0.45) LMNAKDM4ETP53SMN1; SMN2MAPK1
SCHEMBL17307074 0.84 WHR1 (0.45) LMNAKDM4ETP53SMN1; SMN2MAPK1
SCHEMBL17307083 0.83 DHODH (0.42) LMNAKDM4ETP53SMN1; SMN2MAPK1
SCHEMBL17306713 0.83 WHR1 (0.42) LMNAKDM4ETP53SMN1; SMN2MAPK1
SCHEMBL17306754 0.82 DHODH (0.43) LMNAKDM4ETP53SMN1; SMN2MAPK1
SCHEMBL17307080 0.82 DHODH (0.43) LMNAKDM4ETP53SMN1; SMN2MAPK1
SCHEMBL17306699 0.82 DHODH (0.43) LMNAKDM4ETP53SMN1; SMN2MAPK1

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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