SCHEMBL17306798

SCHEMBL17306798

c1ccc(-c2ccc3nc(-c4cc(-c5ccccn5)cc(-c5c6ccccc6nc6ccccc56)c4)nc(-c4ccccc4)c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ METAP1 P53582 3/20 0.44
▸ ATM Q13315 1/20 0.44
▸ DHODH Q02127 1/20 0.42
▸ TSHR P16473 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ WHR1 P49842 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ RAB9A P51151 3/20 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
SCHEMBL17306478 0.92 WHR1 (0.45) KMT2AMEN1METAP1ATMDHODH
SCHEMBL17307074 0.92 WHR1 (0.45) KMT2AMEN1METAP1ATMDHODH
SCHEMBL17306487 0.90 DHODH (0.40) KMT2AMEN1METAP1ATMDHODH
SCHEMBL17307080 0.89 DHODH (0.43) KMT2AMEN1METAP1ATMDHODH
SCHEMBL17306754 0.89 DHODH (0.43) KMT2AMEN1METAP1ATMDHODH
SCHEMBL17306699 0.89 DHODH (0.43) KMT2AMEN1METAP1ATMDHODH
SCHEMBL17307062 0.88 KDM4E (0.45) KMT2AMEN1METAP1ATMDHODH
SCHEMBL17307083 0.88 DHODH (0.42) KMT2AMEN1METAP1ATMDHODH
SCHEMBL17306713 0.88 WHR1 (0.42) KMT2AMEN1METAP1ATMDHODH
SCHEMBL17306469 0.86 LMNA (0.38) KMT2AMEN1METAP1ATMDHODH

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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