SCHEMBL2447035

SCHEMBL2447035

CN(c1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1)S(=O)(=O)NCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.81
MST1R Q04912 3/20 0.62
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
FECH P22830 1/20 0.60

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
SCHEMBL2446196 0.89 MET (0.76) METMST1R
SCHEMBL2322770 0.86 MET (0.72) METMST1R
SCHEMBL399926 0.84 MET (1.00) METMST1RCYP3A4CYP2D6CYP2C9
SCHEMBL2452747 0.84 MET (0.69) METMST1R
SCHEMBL3952870 0.84 MET (0.69) METMST1R
SCHEMBL2450541 0.82 MET (0.55) METMST1RCYP3A4CYP2D6CYP2C9
SCHEMBL2326442 0.80 MET (0.75) METMST1RCYP3A4CYP2C9FECH
SCHEMBL2326090 0.80 MET (0.75) METMST1RCYP3A4CYP2C9FECH
SCHEMBL2327639 0.80 MET (0.75) METMST1RCYP3A4CYP2C9FECH
SCHEMBL398498 0.80 MET (0.80) METMST1RCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896421-B1 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK SHARP & DOHME (US) 2011-09-14 EP claimed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US claimed
EP-1896421-B1 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed