SCHEMBL9926083

SCHEMBL9926083

N#Cc1ccc(C2=NNC(/C=C/c3nnc(-c4ccc(OCC(F)(F)F)cn4)n3-c3ccccc3Cl)O2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 12/20 0.45
▸ TNKS O95271 10/20 0.45
▸ SULT2A1 Q06520 1/20 0.45
▸ SLC5A1 P13866 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL9901703 0.81 TNKS2 (0.68) TNKS2TNKSSULT2A1
SCHEMBL9901707 0.81 TNKS2 (0.68) TNKS2TNKSSULT2A1
SCHEMBL15452796 0.76 TNKS2 (0.43) TNKS2TNKSSULT2A1
SCHEMBL9904973 0.76 TNKS2 (0.43) TNKS2TNKSSULT2A1
SCHEMBL9905448 0.74 TNKS2 (0.39) TNKS2TNKSSULT2A1CYP2C9
SCHEMBL9905446 0.74 TNKS2 (0.39) TNKS2TNKSSULT2A1CYP2C9
SCHEMBL15449865 0.66 TNKS2 (0.79) TNKS2TNKSSULT2A1CYP3A4CYP2C9
SCHEMBL23059592 0.63 TNKS2 (0.75) TNKS2TNKSSULT2A1CYP3A4CYP2C9
SCHEMBL15449806 0.63 TNKS2 (0.62) TNKS2TNKSSULT2A1
SCHEMBL9926183 0.63 TNKS2 (0.46) TNKS2TNKSSULT2A1

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-2012076898-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2012-06-14 — — WO disclosed
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