SCHEMBL4696486

SCHEMBL4696486

C[C@H](Nc1ccc([N+](=O)[O-])c(Nc2cc(C3CC3)[nH]n2)n1)c1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.70
IGF1R P08069 7/20 0.52
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
PAK1 Q13153 4/20 0.44
PAK3 O75914 3/20 0.44
PAK2 Q13177 3/20 0.44
NEK1 Q96PY6 1/20 0.42
BRD4 O60885 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
SCHEMBL4694696 0.84 NTRK1 (0.50) NTRK1IGF1RJAK2JAK3PAK1
SCHEMBL4696446 0.84 NTRK1 (0.49) NTRK1IGF1RCCNE1CDK2JAK2
SCHEMBL4694125 0.83 NTRK1 (0.48) NTRK1IGF1RJAK2JAK3BRD4
SCHEMBL2634350 0.82 NTRK1 (1.00) NTRK1IGF1RJAK2JAK3
SCHEMBL56519 0.78 IGF1R (0.63) NTRK1IGF1RCDK2
SCHEMBL22535573 0.78 PAK1 (0.51) NTRK1IGF1RCCNE1CDK2JAK2
SCHEMBL22535327 0.77 PAK1 (0.48) NTRK1IGF1RCCNE1CDK2JAK2
SCHEMBL22535788 0.77 PAK1 (0.48) NTRK1IGF1RCCNE1CDK2JAK2
SCHEMBL4070121 0.76 IGF1R (0.78) NTRK1IGF1R
SCHEMBL17044023 0.76 NTRK1 (0.88) NTRK1IGF1RJAK2JAK3

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