SCHEMBL17955704

SCHEMBL17955704

COc1cc(C(=O)N/N=C(C)/C(C#N)=C\c2nnc(-c3ccc(S(C)(=O)=O)cn3)n2-c2ccccc2Cl)ccn1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 8/20 0.57
▸ TNKS2 Q9H2K2 8/20 0.57
▸ SULT2A1 Q06520 1/20 0.47
▸ CTSA P10619 1/20 0.33
▸ APLNR P35414 1/20 0.32
▸ KCNK3 O14649 1/20 0.30
▸ KCNK9 Q9NPC2 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
SCHEMBL9905220 0.81 TNKS (0.62) TNKSTNKS2SULT2A1CTSAAPLNR
SCHEMBL9905223 0.81 TNKS (0.62) TNKSTNKS2SULT2A1CTSAAPLNR
SCHEMBL15449830 0.77 TNKS2 (0.76) TNKSTNKS2SULT2A1APLNR
SCHEMBL17955703 0.75 TNKS (0.42) TNKSTNKS2SULT2A1
SCHEMBL9905439 0.73 TNKS (1.00) TNKSTNKS2SULT2A1APLNR
SCHEMBL9905440 0.73 TNKS (1.00) TNKSTNKS2SULT2A1APLNR
SCHEMBL15449823 0.71 TNKS (0.83) TNKSTNKS2SULT2A1APLNR
SCHEMBL9905264 0.70 TNKS (0.49) TNKSTNKS2SULT2A1
SCHEMBL9905260 0.70 TNKS (0.49) TNKSTNKS2SULT2A1
SCHEMBL9902075 0.70 TNKS (0.61) TNKSTNKS2SULT2A1

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
US-9403812-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2016-08-02 — — US disclosed
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