SCHEMBL17307086

SCHEMBL17307086

c1ccc(-c2nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)nc3ccc(-c4cccc(-c5ncccn5)c4)cc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WHR1 P49842 1/20 0.42
▸ DHODH Q02127 1/20 0.40
▸ HIF1A Q16665 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KLF5 Q13887 1/20 0.39
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL17307083 0.96 DHODH (0.42) WHR1DHODHHIF1AMEN1KMT2A
SCHEMBL17306699 0.95 DHODH (0.43) WHR1DHODHHIF1AMEN1KMT2A
SCHEMBL17306754 0.95 DHODH (0.43) WHR1DHODHHIF1AMEN1KMT2A
SCHEMBL17307080 0.95 DHODH (0.43) WHR1DHODHHIF1AMEN1KMT2A
SCHEMBL17306713 0.94 WHR1 (0.42) WHR1DHODHHIF1AMEN1KMT2A
SCHEMBL17306478 0.93 WHR1 (0.45) WHR1DHODHHIF1AMEN1KMT2A
SCHEMBL17307074 0.93 WHR1 (0.45) WHR1DHODHHIF1AMEN1KMT2A
SCHEMBL17306635 0.92 DHODH (0.43) WHR1DHODHHIF1AMEN1KMT2A
SCHEMBL17306757 0.91 PIK3CA (0.46) WHR1DHODHMEN1KMT2AATM
SCHEMBL17307058 0.90 WHR1 (0.47) WHR1MEN1KMT2AATMKDM4E

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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