SCHEMBL4697163

SCHEMBL4697163

OC[C@H](Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2c1F)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 18/20 0.47
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
NUAK1 O60285 1/20 0.35

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
SCHEMBL56879 0.87 NTRK1 (0.47) NTRK1NUAK1
SCHEMBL57234 0.86 NTRK1 (0.54) NTRK1
SCHEMBL4698236 0.84 NTRK1 (0.47) NTRK1
SCHEMBL4694092 0.83 NTRK1 (0.48) NTRK1CCNT1CDK9NUAK1
SCHEMBL4697091 0.82 NTRK1 (0.65) NTRK1NUAK1
SCHEMBL4693863 0.82 NTRK1 (0.44) NTRK1
SCHEMBL3705689 0.81 NTRK1 (0.68) NTRK1
SCHEMBL27709595 0.81 NTRK1 (0.68) NTRK1
SCHEMBL57991 0.81 NTRK1 (0.51) NTRK1CCNT1CDK9NUAK1
SCHEMBL4697302 0.79 NTRK1 (0.55) NTRK1NUAK1

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