SCHEMBL17306439

SCHEMBL17306439

c1ccc(-c2cnc(-c3cc(-c4ccc(-c5ccncc5)cc4)cc(-c4nc(-c5ccccc5)c5ccc(-c6ccccc6)cc5n4)c3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.47
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.42
▸ PIK3CA P42336 1/20 0.41
▸ CSNK2A2 P19784 2/20 0.41
▸ CSNK2B P67870 2/20 0.41
▸ ALK Q9UM73 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ WHR1 P49842 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ DHFR P00374 1/20 0.38
▸ MAPK10 P53779 1/20 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
SCHEMBL17306442 0.94 MEN1 (0.48) HPGDMEN1KMT2AATMPIK3CA
SCHEMBL17306587 0.92 HPGD (0.53) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306446 0.92 HPGD (0.53) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17307036 0.92 HPGD (0.53) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306461 0.91 HPGD (0.47) HPGDMEN1KMT2AATMCSNK2A2
SCHEMBL17306453 0.90 HPGD (0.45) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306440 0.89 HPGD (0.47) HPGDMEN1KMT2AATMCSNK2A2
SCHEMBL17306569 0.88 HPGD (0.48) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306656 0.87 MEN1 (0.49) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306589 0.87 HPGD (0.47) 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
Send feedback