SCHEMBL17306713

SCHEMBL17306713

c1ccc(-c2cc(-c3ccc(-c4cccc(-c5ccccn5)c4)cc3)cc(-c3nc(-c4ccccc4)c4cc(-c5ccccc5)ccc4n3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WHR1 P49842 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ METAP1 P53582 1/20 0.42
▸ HIF1A Q16665 3/20 0.41
▸ PIK3CA P42336 3/20 0.41
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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 0.97 DHODH (0.42) WHR1MEN1KMT2AATMMETAP1
SCHEMBL17307080 0.96 DHODH (0.43) WHR1MEN1KMT2AATMMETAP1
SCHEMBL17306699 0.96 DHODH (0.43) WHR1MEN1KMT2AATMMETAP1
SCHEMBL17306754 0.96 DHODH (0.43) WHR1MEN1KMT2AATMMETAP1
SCHEMBL17306478 0.96 WHR1 (0.45) WHR1MEN1KMT2AATMMETAP1
SCHEMBL17307074 0.96 WHR1 (0.45) WHR1MEN1KMT2AATMMETAP1
SCHEMBL17307086 0.94 WHR1 (0.42) WHR1MEN1KMT2AATMMETAP1
SCHEMBL17306635 0.93 DHODH (0.43) WHR1MEN1KMT2AATMMETAP1
SCHEMBL17306757 0.91 PIK3CA (0.46) WHR1MEN1KMT2AATMMETAP1
SCHEMBL17306447 0.90 MTOR (0.41) WHR1MEN1KMT2AATMMETAP1

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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