SCHEMBL27709595

SCHEMBL27709595

OCC(Nc1ncc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.68

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
SCHEMBL3705689 1.00 NTRK1 (0.68) NTRK1
SCHEMBL4697091 0.88 NTRK1 (0.65) NTRK1
SCHEMBL4696821 0.88 NTRK1 (0.81) NTRK1
SCHEMBL4696858 0.88 NTRK1 (0.81) NTRK1
SCHEMBL27689887 0.88 NTRK1 (0.81) NTRK1
SCHEMBL4697331 0.85 NTRK1 (0.67) NTRK1
SCHEMBL4697302 0.85 NTRK1 (0.55) NTRK1
SCHEMBL57294 0.85 NTRK1 (0.51) NTRK1
SCHEMBL57991 0.84 NTRK1 (0.51) NTRK1
SCHEMBL4698140 0.83 NTRK1 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101119988-A Chemical compound ASTRAZENECA AB (SE) 2008-02-06 CN claimed
CN-101119988-A Chemical compound ASTRAZENECA AB (SE) 2008-02-06 CN disclosed