SCHEMBL17306694

SCHEMBL17306694

c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5nc(-c6ccccc6)c6cc(-c7ccccc7)ccc6n5)c4)n3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WHR1 P49842 1/20 0.48
▸ KMT2A Q03164 8/20 0.48
▸ MEN1 O00255 7/20 0.48
▸ ATM Q13315 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ HPGD P15428 5/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ DHODH Q02127 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL17306768 1.00 WHR1 (0.48) WHR1KMT2AMEN1ATMALDH1A1
SCHEMBL17306669 0.98 MEN1 (0.50) WHR1KMT2AMEN1ATMALDH1A1
SCHEMBL17307093 0.94 KMT2A (0.53) WHR1KMT2AMEN1ATMALDH1A1
SCHEMBL17307033 0.90 MEN1 (0.50) WHR1KMT2AMEN1ATMALDH1A1
SCHEMBL17306667 0.90 MEN1 (0.50) WHR1KMT2AMEN1ATMALDH1A1
SCHEMBL17307080 0.88 DHODH (0.43) WHR1KMT2AMEN1ATMALDH1A1
SCHEMBL17306699 0.88 DHODH (0.43) WHR1KMT2AMEN1ATMALDH1A1
SCHEMBL17306754 0.88 DHODH (0.43) WHR1KMT2AMEN1ATMALDH1A1
SCHEMBL17306430 0.88 MTOR (0.45) WHR1KMT2AMEN1ATMALDH1A1
SCHEMBL17306635 0.87 DHODH (0.43) WHR1KMT2AMEN1ATMALDH1A1

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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