SCHEMBL3722816

SCHEMBL3722816

O=C(Nc1nc2ccc(Sc3nnc4ccc(Oc5ccc(C(F)(F)F)cc5)nn34)cc2s1)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.64
CYP3A4 P08684 9/20 0.57
CYP2D6 P10635 1/20 0.45
RIPK1 Q13546 1/20 0.44
RIPK3 Q9Y572 1/20 0.44

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
SCHEMBL3723626 0.92 MET (0.76) METCYP3A4
SCHEMBL3726507 0.91 MET (0.67) METCYP3A4
SCHEMBL3723638 0.86 MET (0.69) METCYP3A4
SCHEMBL3729221 0.85 MET (0.60) METCYP3A4RIPK1RIPK3
SCHEMBL2800569 0.85 MET (0.70) METCYP3A4
SCHEMBL3723643 0.84 MET (0.63) METCYP3A4RIPK1RIPK3
SCHEMBL3725108 0.83 MET (0.70) METCYP3A4
SCHEMBL3721442 0.82 MET (0.70) METCYP3A4
SCHEMBL3726531 0.81 MET (0.65) METCYP3A4
SCHEMBL3723536 0.81 MET (0.70) 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 claimed
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 claimed