SCHEMBL17307036

SCHEMBL17307036

c1ccc(-c2ccc3c(-c4ccccc4)nc(-c4cc(-c5ccncc5)cc(-c5ccc(-c6ccncc6)cc5)c4)nc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.53
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ATM Q13315 1/20 0.49
▸ MKNK1 Q9BUB5 1/20 0.48
▸ WHR1 P49842 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PIK3CA P42336 1/20 0.43
▸ DHFR P00374 1/20 0.43
▸ CSNK2A2 P19784 2/20 0.43
▸ CSNK2B P67870 2/20 0.43
▸ ALK Q9UM73 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ IMPDH2 P12268 1/20 0.43
▸ MAPK14 Q16539 3/20 0.41
▸ MAPK13 O15264 2/20 0.41
▸ MAPK12 P53778 2/20 0.41
▸ MAPK11 Q15759 2/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ MAPT P10636 2/20 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
SCHEMBL17306446 1.00 HPGD (0.53) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306587 1.00 HPGD (0.53) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306599 0.93 MEN1 (0.55) HPGDMEN1KMT2AATMWHR1
SCHEMBL17306569 0.92 HPGD (0.48) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306439 0.92 HPGD (0.47) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306589 0.91 HPGD (0.47) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17307089 0.90 MKNK1 (0.52) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306700 0.90 MKNK1 (0.52) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306453 0.89 HPGD (0.45) HPGDMEN1KMT2AATMMKNK1
SCHEMBL18504039 0.89 MEN1 (0.56) 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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