SCHEMBL460918

SCHEMBL460918

Fc1cccc([C@H]2CCCN2c2ccn3nccc3n2)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.62
JAK2 O60674 5/20 0.62

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
SCHEMBL460919 1.00 NTRK1 (0.62) NTRK1JAK2
SCHEMBL23178139 0.86 NTRK1 (0.44) NTRK1JAK2
SCHEMBL22097353 0.84 NTRK1 (0.48) NTRK1JAK2
SCHEMBL2239185 0.84 NTRK1 (0.63) NTRK1JAK2
SCHEMBL2239181 0.84 NTRK1 (0.63) NTRK1JAK2
SCHEMBL23178521 0.84 NTRK1 (0.63) NTRK1JAK2
SCHEMBL29420195 0.84 NTRK1 (0.63) NTRK1JAK2
SCHEMBL31748840 0.84 NTRK1 (0.52) NTRK1JAK2
SCHEMBL2599310 0.82 NTRK1 (0.51) NTRK1JAK2
SCHEMBL2599314 0.82 NTRK1 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO claimed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed