SCHEMBL17306453

SCHEMBL17306453

c1ccc(-c2ccc3c(-c4ccccc4)nc(-c4cc(-c5ccc(-c6ccncc6)cc5)cc(-c5ccc(-c6ccccc6)nc5)c4)nc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.45
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ CSNK2A2 P19784 2/20 0.39
▸ CSNK2B P67870 2/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ WHR1 P49842 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36

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
SCHEMBL17306637 0.93 MEN1 (0.46) HPGDMEN1KMT2AATMCSNK2A2
SCHEMBL17306609 0.92 HPGD (0.43) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306437 0.92 HPGD (0.45) HPGDMEN1KMT2AATMCSNK2A2
SCHEMBL17306607 0.90 MEN1 (0.40) HPGDMEN1KMT2AATMCSNK2A2
SCHEMBL17306439 0.90 HPGD (0.47) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17307036 0.89 HPGD (0.53) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306446 0.89 HPGD (0.53) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306587 0.89 HPGD (0.53) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306589 0.88 HPGD (0.47) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306569 0.87 HPGD (0.48) HPGDMEN1KMT2AATMMKNK1

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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