SCHEMBL17306596

SCHEMBL17306596

c1ccc(-c2ccc3c(-c4ccccc4)nc(-c4cc(-c5ccccn5)cc(-c5cc6ccccc6c6ccccc56)c4)nc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ METAP1 P53582 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ WHR1 P49842 1/20 0.37
▸ LMNA P02545 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KLF5 Q13887 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
SCHEMBL17306771 0.97 MEN1 (0.39) MEN1KMT2AATMMETAP1TSHR
SCHEMBL17306865 0.95 MEN1 (0.39) MEN1KMT2AATMMETAP1TSHR
SCHEMBL17306500 0.92 KMT2A (0.45) MEN1KMT2AATMMETAP1TSHR
SCHEMBL17306731 0.91 MEN1 (0.49) MEN1KMT2AATMCYP11B1WHR1
SCHEMBL17306595 0.91 MEN1 (0.39) MEN1KMT2AATMMETAP1TSHR
SCHEMBL17306615 0.90 MEN1 (0.48) MEN1KMT2AATMCYP11B1WHR1
SCHEMBL17306769 0.90 MEN1 (0.47) MEN1KMT2AATMMETAP1TSHR
SCHEMBL17307077 0.89 HSD17B10 (0.39) MEN1KMT2AATMMETAP1TSHR
SCHEMBL17307040 0.89 MEN1 (0.46) MEN1KMT2AATMMETAP1TSHR
SCHEMBL17306658 0.89 MEN1 (0.46) MEN1KMT2AATMMETAP1TSHR

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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