SCHEMBL17306769

SCHEMBL17306769

c1ccc(-c2ccc(-c3ccc4c(-c5ccccc5)nc(-c5cc(-c6ccccn6)cc(-c6ccccn6)c5)nc4c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ WHR1 P49842 1/20 0.44
▸ METAP1 P53582 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KLF5 Q13887 1/20 0.43
▸ DHFR P00374 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ HIF1A Q16665 3/20 0.40

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
SCHEMBL17306606 0.99 MEN1 (0.46) MEN1KMT2AATMWHR1METAP1
SCHEMBL17307040 0.99 MEN1 (0.46) MEN1KMT2AATMWHR1METAP1
SCHEMBL17306658 0.99 MEN1 (0.46) MEN1KMT2AATMWHR1METAP1
SCHEMBL17307029 0.97 MEN1 (0.45) MEN1KMT2AATMWHR1METAP1
SCHEMBL17306568 0.97 MEN1 (0.45) MEN1KMT2AATMWHR1METAP1
SCHEMBL17307026 0.96 DHODH (0.44) MEN1KMT2AATMWHR1METAP1
SCHEMBL17307048 0.95 MEN1 (0.43) MEN1KMT2AATMWHR1METAP1
SCHEMBL17306740 0.94 DHODH (0.43) MEN1KMT2AATMWHR1METAP1
SCHEMBL17306589 0.94 HPGD (0.47) MEN1KMT2AATMWHR1METAP1
SCHEMBL17306662 0.94 DHODH (0.43) MEN1KMT2AATMWHR1METAP1

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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