SCHEMBL4693863

SCHEMBL4693863

N#Cc1cc2ncn(-c3cc(C4CC4)[nH]n3)c2cc1N[C@@H](CO)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.44
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL4698236 0.89 NTRK1 (0.47) NTRK1JAK2JAK3
SCHEMBL56513 0.88 JAK2 (0.52) NTRK1JAK2JAK3
SCHEMBL4694092 0.83 NTRK1 (0.48) NTRK1
SCHEMBL4697163 0.82 NTRK1 (0.47) NTRK1
SCHEMBL57991 0.82 NTRK1 (0.51) NTRK1
SCHEMBL3705689 0.77 NTRK1 (0.68) NTRK1
SCHEMBL4697091 0.77 NTRK1 (0.65) NTRK1JAK2
SCHEMBL27709595 0.77 NTRK1 (0.68) NTRK1
SCHEMBL56396 0.77 NTRK1 (0.53) NTRK1JAK2JAK3
SCHEMBL56879 0.77 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
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed