SCHEMBL4697091

SCHEMBL4697091

OC[C@H](Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.65
KCNH2 Q12809 1/20 0.48
JAK2 O60674 1/20 0.47
NUAK1 O60285 1/20 0.41

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 0.88 NTRK1 (0.68) NTRK1
SCHEMBL27709595 0.88 NTRK1 (0.68) NTRK1
SCHEMBL4750903 0.86 NTRK1 (0.79) NTRK1JAK2
SCHEMBL56800 0.86 NTRK1 (0.79) NTRK1JAK2
SCHEMBL4696829 0.85 NTRK1 (0.64) NTRK1KCNH2JAK2
SCHEMBL4697302 0.85 NTRK1 (0.55) NTRK1NUAK1
SCHEMBL57991 0.84 NTRK1 (0.51) NTRK1NUAK1
SCHEMBL4694092 0.83 NTRK1 (0.48) NTRK1NUAK1
SCHEMBL4697163 0.82 NTRK1 (0.47) NTRK1NUAK1
SCHEMBL4695287 0.82 NTRK1 (0.62) 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 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