SCHEMBL29690950

SCHEMBL29690950

O=c1[nH]c2ccncc2n1-c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 4/20 0.54
▸ DAO P14920 1/20 0.48
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ NTRK1 P04629 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ PGR P06401 1/20 0.34
▸ CNOT7 Q9UIV1 1/20 0.34
▸ GSK3B P49841 1/20 0.34

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
SCHEMBL1699090 0.86 DAO (0.62) TNKSDAOKMT2AMEN1LMNA
SCHEMBL30565799 0.82 NTRK1 (0.56) TNKSDAOKMT2AMEN1LMNA
SCHEMBL16456362 0.79 DAO (0.54) TNKSDAOKMT2AMEN1LMNA
SCHEMBL16455946 0.76 TNKS (0.51) TNKSDAOKMT2AMEN1LMNA
SCHEMBL16456333 0.76 TNKS (0.51) TNKSDAOKMT2AMEN1CDK5
SCHEMBL23119573 0.74 CDK5 (0.59) TNKSDAOKMT2AMEN1LMNA
SCHEMBL16657373 0.72 TNKS (0.52) TNKSDAOKMT2AMEN1LMNA
SCHEMBL21463894 0.72 DAO (0.49) TNKSDAOKMT2AMEN1LMNA
SCHEMBL30615461 0.72 DAO (0.49) TNKSDAOKMT2AMEN1LMNA
SCHEMBL21463329 0.71 DAO (0.51) TNKSDAOCDK5CDK5R1FEN1

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
EP-3414234-B1 BRUTON'S TYROSINE KINASE INHIBITORS ZIBO BIOPOLAR CHANGSHENG PHARMACEUTICAL CO LTD (CN) 2022-06-29 — — EP disclosed
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