SCHEMBL17674281

SCHEMBL17674281

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 14/20 0.55
NTRK3 Q16288 7/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL17674264 0.94 NTRK1 (0.56) NTRK1NTRK3LMNASMN1; SMN2
SCHEMBL17674320 0.91 NTRK1 (0.56) NTRK1NTRK3LMNASMN1; SMN2TP53
SCHEMBL17674302 0.88 NTRK1 (0.52) NTRK1NTRK3LMNASMN1; SMN2TP53
SCHEMBL17674408 0.88 NTRK1 (0.69) NTRK1NTRK3LMNASMN1; SMN2TP53
SCHEMBL17674243 0.88 NTRK1 (0.55) NTRK1NTRK3LMNASMN1; SMN2TP53
SCHEMBL17680281 0.88 NTRK1 (0.55) NTRK1NTRK3LMNASMN1; SMN2TP53
SCHEMBL17674312 0.87 NTRK1 (0.57) NTRK1NTRK3LMNASMN1; SMN2TP53
SCHEMBL17674442 0.86 NTRK1 (0.53) NTRK1NTRK3LMNASMN1; SMN2TP53
SCHEMBL17674287 0.86 NTRK1 (0.54) NTRK1NTRK3LMNASMN1; SMN2TP53
SCHEMBL17674314 0.85 NTRK1 (0.53) NTRK1NTRK3LMNASMN1; SMN2TP53

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