SCHEMBL17306589

SCHEMBL17306589

c1ccc(-c2ccc3c(-c4ccccc4)nc(-c4cc(-c5ccc(-c6ccncc6)cc5)cc(-c5ccccn5)c4)nc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.47
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.41
▸ PIK3CA P42336 2/20 0.40
▸ ALK Q9UM73 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ WHR1 P49842 1/20 0.40
▸ METAP1 P53582 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL17307040 0.95 MEN1 (0.46) HPGDMEN1KMT2AATMALK
SCHEMBL17306658 0.95 MEN1 (0.46) HPGDMEN1KMT2AATMALK
SCHEMBL17306606 0.95 MEN1 (0.46) HPGDMEN1KMT2AATMALK
SCHEMBL17307029 0.94 MEN1 (0.45) HPGDMEN1KMT2AATMALK
SCHEMBL17306568 0.94 MEN1 (0.45) HPGDMEN1KMT2AATMALK
SCHEMBL17306769 0.94 MEN1 (0.47) HPGDMEN1KMT2AATMALK
SCHEMBL17306609 0.92 HPGD (0.43) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17307048 0.92 MEN1 (0.43) HPGDMEN1KMT2AATMALK
SCHEMBL17307036 0.91 HPGD (0.53) HPGDMEN1KMT2AATMMKNK1
SCHEMBL17306587 0.91 HPGD (0.53) 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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