SCHEMBL17674264

SCHEMBL17674264

Cn1nccc1-c1cc2cc(F)ccc2n1CC(=O)NCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 14/20 0.56
PTGS2 P35354 1/20 0.44
NTRK3 Q16288 7/20 0.43
LMNA P02545 2/20 0.41
ELANE P08246 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL17674281 0.94 NTRK1 (0.55) NTRK1NTRK3LMNASMN1; SMN2
SCHEMBL17674320 0.93 NTRK1 (0.56) NTRK1NTRK3LMNASMN1; SMN2
SCHEMBL17674248 0.90 NTRK1 (0.55) NTRK1NTRK3
SCHEMBL17674418 0.88 NTRK1 (0.53) NTRK1PTGS2NTRK3LMNASMN1; SMN2
SCHEMBL17674428 0.86 NTRK1 (0.56) NTRK1PTGS2NTRK3LMNASMN1; SMN2
SCHEMBL17674315 0.86 NTRK1 (0.58) NTRK1PTGS2NTRK3LMNASMN1; SMN2
SCHEMBL17674425 0.84 NTRK1 (0.53) NTRK1PTGS2NTRK3LMNASMN1; SMN2
SCHEMBL17674302 0.82 NTRK1 (0.52) NTRK1PTGS2NTRK3LMNASMN1; SMN2
SCHEMBL17674408 0.81 NTRK1 (0.69) NTRK1PTGS2NTRK3LMNASMN1; SMN2
SCHEMBL17680281 0.81 NTRK1 (0.55) NTRK1NTRK3LMNASMN1; SMN2

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