SCHEMBL17425964

SCHEMBL17425964

ICc1ccc2nncn2c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 14/20 0.44
DNMT1 P26358 1/20 0.42
MLLT3 P42568 4/20 0.42
SCN5A Q14524 1/20 0.41
YEATS2 Q9ULM3 1/20 0.40
NAMPT P43490 1/20 0.39
MAPK14 Q16539 1/20 0.37
TGFBR1 P36897 1/20 0.36

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
SCHEMBL6813380 0.81 MLLT1 (0.58) MLLT1DNMT1MLLT3SCN5AYEATS2
SCHEMBL252922 0.69 PIK3CG (0.47) MLLT1DNMT1MLLT3SCN5AMAPK14
SCHEMBL24816112 0.69 DNMT1 (0.46) MLLT1DNMT1MLLT3SCN5AYEATS2
SCHEMBL23432690 0.68 MLLT1 (0.49) MLLT1DNMT1MLLT3SCN5AYEATS2
SCHEMBL25124502 0.67 MLLT1 (0.46) MLLT1DNMT1MLLT3SCN5AYEATS2
SCHEMBL11474506 0.64 SCN5A (0.58) MLLT1DNMT1SCN5AMAPK14TGFBR1
SCHEMBL24783499 0.63 MLLT1 (0.45) MLLT1DNMT1MLLT3SCN5AYEATS2
SCHEMBL23230446 0.63 DNMT1 (0.41) MLLT1DNMT1MLLT3SCN5AYEATS2
SCHEMBL38659050 0.62 MLLT1 (0.76) MLLT1MLLT3YEATS2NAMPT
SCHEMBL23686714 0.61 DNMT1 (0.39) MLLT1DNMT1MLLT3SCN5AMAPK14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2802577-B1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
EP-2966075-A1 CERTAIN TRIAZOLOPYRIDINES, COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CANCER. Hutchison Medipharma Limited (CN) 2016-01-13 EP disclosed