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Sugi Predict / Compounds / SCHEMBL17306878

SCHEMBL17306878

SCHEMBL17306878

C1=CCNC(c2ccc(-c3cc(-c4nc(-c5ccccc5)c5ccc(-c6ccccc6)cc5n4)cc(-c4c5ccccc5cc5ccccc45)c3)cc2)=C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HPGD P15428 3/20 0.34
▸ WHR1 P49842 1/20 0.33
▸ DHFR P00374 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CSNK2A2 P19784 1/20 0.30
▸ CSNK2B P67870 1/20 0.30

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
SCHEMBL17306864 0.87 MEN1 (0.35) MEN1KMT2AATMHPGDWHR1
SCHEMBL17306804 0.86 KMT2A (0.35) MEN1KMT2AATMHPGDWHR1
SCHEMBL17306594 0.85 MEN1 (0.49) MEN1KMT2AATMHPGDWHR1
SCHEMBL17306597 0.84 MEN1 (0.33) MEN1KMT2AATMHPGDWHR1
SCHEMBL17306672 0.84 MEN1 (0.50) MEN1KMT2AATMHPGDWHR1
SCHEMBL17306695 0.83 WHR1 (0.38) MEN1KMT2AATMHPGDWHR1
SCHEMBL17306413 0.81 MAPT (0.35) MEN1KMT2AATMHPGDWHR1
SCHEMBL17306874 0.79 HPGD (0.45) MEN1KMT2AATMHPGDALDH1A1
SCHEMBL17306776 0.79 KDM4E (0.33) ALDH1A1
SCHEMBL17306979 0.78 CYP1A2 (0.33) MEN1KMT2AATM

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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