SCHEMBL17674243

SCHEMBL17674243

C[S@@](=N)(=O)c1ccc(-c2ccc(CNC(=O)Cn3c(-c4ccns4)cc4cc(F)ccc43)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.55
NTRK3 Q16288 6/20 0.53
LMNA P02545 2/20 0.44
TP53 P04637 3/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL17680281 1.00 NTRK1 (0.55) NTRK1NTRK3LMNATP53THRB
SCHEMBL17674314 0.88 NTRK1 (0.53) NTRK1NTRK3LMNATP53SMN1; SMN2
SCHEMBL17674408 0.88 NTRK1 (0.69) NTRK1NTRK3LMNATP53SMN1; SMN2
SCHEMBL17674281 0.88 NTRK1 (0.55) NTRK1NTRK3LMNATP53THRB
SCHEMBL17674287 0.87 NTRK1 (0.54) NTRK1NTRK3LMNATP53SMN1; SMN2
SCHEMBL17674162 0.85 NTRK1 (0.52) NTRK1NTRK3LMNATP53SMN1; SMN2
SCHEMBL17674302 0.85 NTRK1 (0.52) NTRK1NTRK3LMNATP53THRB
SCHEMBL17674312 0.85 NTRK1 (0.57) NTRK1NTRK3LMNATP53SMN1; SMN2
SCHEMBL17674442 0.84 NTRK1 (0.53) NTRK1NTRK3LMNATP53SMN1; SMN2
SCHEMBL17674446 0.84 NTRK1 (0.53) NTRK1NTRK3LMNATP53THRB

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
WO-2016054807-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-04-14 WO claimed