SCHEMBL4698240

SCHEMBL4698240

Nc1ccc([N+](=O)[O-])c(Nc2cc(C3CC3)[nH]n2)c1Cc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.52
NUAK1 O60285 1/20 0.41
IGF1R P08069 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CCNA1 P78396 2/20 0.38

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
SCHEMBL2576261 0.78 NTRK1 (0.49) NTRK1NUAK1IGF1RPIK3C3
SCHEMBL56675 0.78 NTRK1 (0.53) NTRK1IGF1RPIK3C3CCNA2CDK2
SCHEMBL56941 0.77 NTRK1 (0.60) NTRK1IGF1RPIK3C3CCNA2CDK2
SCHEMBL2570471 0.76 NTRK1 (0.51) NTRK1NUAK1IGF1RPIK3C3
SCHEMBL4103550 0.75 NTRK1 (0.56) NTRK1IGF1R
SCHEMBL4103556 0.75 NTRK1 (0.56) NTRK1IGF1R
SCHEMBL2634428 0.73 NTRK1 (0.71) NTRK1IGF1R
SCHEMBL3137277 0.72 NUAK1 (0.56) NTRK1NUAK1IGF1RPIK3C3
SCHEMBL57082 0.72 NTRK1 (0.49) NTRK1IGF1RPIK3C3CCNA2CDK2
SCHEMBL56561 0.71 NTRK1 (0.54) NTRK1IGF1R

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