SCHEMBL30615403

SCHEMBL30615403

CN(C)c1ccc(-n2c(=O)[nH]c3cnccc32)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 3/20 0.46
▸ AOC3 Q16853 3/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ DAO P14920 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ FEN1 P39748 1/20 0.36
▸ TGFBR1 P36897 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL21463404 1.00 TNKS (0.46) TNKSAOC3PIK3CAMTORHSP90AA1
SCHEMBL28492431 0.84 AURKA (0.45) TNKSPIK3CAMTORHSP90AA1HSP90AB1
SCHEMBL23927060 0.80 TNKS (0.46) TNKSDAOFEN1TGFBR1CYP1A2
SCHEMBL16456380 0.78 TNKS (0.54) TNKSDAOMAPTFEN1TGFBR1
SCHEMBL16657373 0.77 TNKS (0.52) TNKSDAOFEN1TGFBR1CYP1A2
SCHEMBL28490416 0.77 DAO (0.47) TNKSAOC3PIK3CAMTORHSP90AA1
SCHEMBL30615573 0.77 DAO (0.47) TNKSAOC3PIK3CAMTORHSP90AA1
SCHEMBL30257956 0.76 TNKS (0.49) TNKSDAOFEN1TGFBR1CYP1A2
SCHEMBL18425727 0.75 TNKS (0.51) TNKSAOC3DAOFEN1TGFBR1
SCHEMBL15552211 0.75 MEN1 (0.52) TNKSAOC3DAOFEN1TGFBR1

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
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 — — CN disclosed
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