SCHEMBL4765008

SCHEMBL4765008

COc1cc(C)cc(-c2nn(-c3cc(-c4cccnn4)ccc3C(F)(F)F)c(=O)c3c2CCN3)c1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.31

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
SCHEMBL4724951 0.95 NTRK1 (0.32) NTRK1
SCHEMBL4721949 0.93 NTRK1 (0.33) NTRK1
SCHEMBL4723635 0.88 PDE4A (0.38)
SCHEMBL4723419 0.88 MEN1 (0.31)
SCHEMBL4723868 0.87 BRD4 (0.31)
SCHEMBL4719906 0.82 BRD4 (0.34)
SCHEMBL4721734 0.81 P2RX7 (0.31)
SCHEMBL4724001 0.81 PDE4A (0.36)
SCHEMBL4719842 0.81 PDE4A (0.38)
SCHEMBL4720876 0.80 CYP11B1 (0.33) 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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed