SCHEMBL23732308

SCHEMBL23732308

C[C@H](CO)NC(=O)c1cnn2ccc(N3CCOC[C@@H]3c3cc(F)cnc3O)nc12

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.63
JAK2 O60674 16/20 0.63

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
SCHEMBL24168607 0.88 NTRK1 (0.68) NTRK1JAK2
SCHEMBL21911502 0.87 NTRK1 (0.55) NTRK1JAK2
SCHEMBL23732307 0.86 NTRK1 (0.54) NTRK1JAK2
SCHEMBL21911083 0.86 NTRK1 (0.54) NTRK1JAK2
SCHEMBL23732305 0.85 NTRK1 (0.67) NTRK1JAK2
SCHEMBL24168768 0.83 NTRK1 (0.51) NTRK1JAK2
SCHEMBL21911085 0.79 NTRK1 (0.70) NTRK1JAK2
SCHEMBL21911084 0.78 NTRK1 (0.56) NTRK1JAK2
SCHEMBL2695396 0.78 NTRK1 (1.00) NTRK1JAK2
SCHEMBL15891071 0.78 NTRK1 (1.00) 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
EP-3858834-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS SELECTIVE TRK INHIBITOR Shandong Luye Pharmaceutical Co., Ltd. (CN) 2021-08-04 EP disclosed