SCHEMBL3723638

SCHEMBL3723638

O=C(Nc1nc2ccc(Sc3nnc4ccc(Oc5cccc(F)c5)nn34)cc2s1)C1CC1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.69
CYP3A4 P08684 9/20 0.69
BRAF P15056 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL3726507 0.92 MET (0.67) METCYP3A4
SCHEMBL3723626 0.92 MET (0.76) METCYP3A4
SCHEMBL3723643 0.90 MET (0.63) METCYP3A4KDR
SCHEMBL3802489 0.90 MET (0.70) METCYP3A4
SCHEMBL3720011 0.90 MET (0.70) METCYP3A4
SCHEMBL3730467 0.88 MET (0.71) METCYP3A4
SCHEMBL3723531 0.87 MET (0.65) METCYP3A4
SCHEMBL3722816 0.86 MET (0.64) METCYP3A4
SCHEMBL3728454 0.85 MET (0.66) METCYP3A4
SCHEMBL2763994 0.85 MET (0.84) METCYP3A4

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-2393791-A1 DERIVATIVES OF 6-(6-O-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI (FR) 2011-12-14 EP disclosed
WO-2010089507-A1 DERIVATIVES OF 6-(6-O-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI-AVENTIS (FR) 2010-08-12 WO disclosed