SCHEMBL3137646

SCHEMBL3137646

C[C@H](c1ccc(F)cc1)n1cnc2ccc(Nc3cc(C4CC4)[nH]n3)nc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 13/20 0.57
NUAK1 O60285 1/20 0.49
JAK2 O60674 2/20 0.47
JAK3 P52333 2/20 0.47

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
SCHEMBL3136376 1.00 NTRK1 (0.57) NTRK1NUAK1JAK2JAK3
SCHEMBL3136390 1.00 NTRK1 (0.57) NTRK1NUAK1JAK2JAK3
SCHEMBL3019865 0.88 NTRK1 (0.64) NTRK1NUAK1JAK2JAK3
SCHEMBL27711294 0.87 NTRK1 (0.56) NTRK1NUAK1JAK2JAK3
SCHEMBL3134400 0.87 NTRK1 (0.58) NTRK1NUAK1JAK2JAK3
SCHEMBL3134412 0.87 NTRK1 (0.58) NTRK1NUAK1JAK2JAK3
SCHEMBL3137395 0.87 NTRK1 (0.56) NTRK1NUAK1JAK2JAK3
SCHEMBL3132267 0.86 NTRK1 (0.50) NTRK1NUAK1
SCHEMBL3132279 0.86 NTRK1 (0.50) NTRK1NUAK1
SCHEMBL3124294 0.85 NUAK1 (0.68) NTRK1NUAK1JAK2JAK3

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-1853602-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-07-14 EP disclosed