SCHEMBL28811015

SCHEMBL28811015

Cn1cc(C(=O)c2cn(C)c3ncncc23)c2cncnc21

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.54

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
SCHEMBL30421491 0.88 NTRK1 (0.48) NTRK1
SCHEMBL12984876 0.82 NTRK1 (0.60) NTRK1
SCHEMBL27934669 0.80 NTRK1 (0.62) NTRK1
SCHEMBL12985126 0.75 NTRK1 (0.49) NTRK1
SCHEMBL13041959 0.74 NTRK1 (0.37) NTRK1
SCHEMBL27975444 0.73 LRRK2 (0.42) NTRK1
SCHEMBL16091256 0.73 NTRK1 (0.36) NTRK1
SCHEMBL13616224 0.73 BRD4 (0.42) NTRK1
SCHEMBL12985514 0.73 NTRK1 (1.00) NTRK1
SCHEMBL27949599 0.72 NTRK1 (0.47) NTRK1

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
CN-103534257-A Pyrrolo [2, 3 -d] pyrimidine derivatives as inhibitors of tropomyosin- related kinases PFIZER 2014-01-22 CN disclosed