SCHEMBL16581322

SCHEMBL16581322

c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)c5sc6ccccc6c5n4)cc(-c4cc5ccccc5c5ccccc45)c3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.34
▸ CYP19A1 P11511 1/20 0.30
▸ TNKS O95271 1/20 0.30
▸ TNKS2 Q9H2K2 1/20 0.30
▸ KRAS P01116 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL19106367 0.95 CYP11B1 (0.36) CYP11B1TNKSTNKS2KRASADORA3
SCHEMBL19106373 0.95 CYP11B1 (0.37) CYP11B1TNKSTNKS2KRAS
SCHEMBL19106362 0.94 CYP11B1 (0.35) CYP11B1TNKSTNKS2KRASADORA3
SCHEMBL19106383 0.93 CYP11B1 (0.36) CYP11B1TNKSTNKS2
SCHEMBL16581110 0.92 CYP11B1 (0.39) CYP11B1TNKSTNKS2KRAS
SCHEMBL16581122 0.92 MEN1 (0.33) CYP11B1
SCHEMBL19106353 0.90 CYP11B1 (0.37) CYP11B1TNKSTNKS2KRAS
SCHEMBL16581157 0.90 TNKS (0.36) CYP19A1TNKSTNKS2KRAS
SCHEMBL16581161 0.90 TNKS (0.36) CYP19A1TNKSTNKS2KRAS
SCHEMBL19106365 0.88 MEN1 (0.37) TNKSTNKS2KRAS

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-2015037675-A1 BENZOTHIENOPYRIMIDINE COMPOUND, METHOD FOR PRODUCING SAME AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAME 東ソー株式会社 (JP) 2015-03-19 — — WO disclosed
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