SCHEMBL15039639

SCHEMBL15039639

O=C(NS(=O)(=O)c1ccc(O)c(O)c1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.51
JAK2 O60674 16/20 0.51

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
SCHEMBL15017228 0.93 NTRK1 (0.54) NTRK1JAK2
SCHEMBL15017227 0.93 NTRK1 (0.54) NTRK1JAK2
SCHEMBL15017814 0.88 NTRK1 (0.48) NTRK1JAK2
SCHEMBL15017815 0.88 NTRK1 (0.48) NTRK1JAK2
SCHEMBL15017028 0.88 NTRK1 (0.50) NTRK1JAK2
SCHEMBL15017031 0.88 NTRK1 (0.50) NTRK1JAK2
SCHEMBL15017186 0.88 NTRK1 (0.60) NTRK1JAK2
SCHEMBL15017187 0.88 NTRK1 (0.60) NTRK1JAK2
SCHEMBL16292521 0.88 NTRK1 (0.54) NTRK1JAK2
SCHEMBL15039744 0.88 NTRK1 (0.54) NTRK1JAK2

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-2013088256-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2013-06-20 WO disclosed