SCHEMBL4695215

SCHEMBL4695215

Fc1ccc(CNc2nc3c(cc2Cl)ncn3-c2cc(C3CC3)[nH]n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 0.61
NTRK1 P04629 17/20 0.50
IGF1R P08069 2/20 0.41
RXFP1 Q9HBX9 1/20 0.38
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
MAP2K4 P45985 1/20 0.36
PLK4 O00444 1/20 0.36

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
SCHEMBL4698140 0.84 NTRK1 (0.66) NUAK1NTRK1IGF1R
SCHEMBL4696455 0.84 NTRK1 (0.64) NUAK1NTRK1
SCHEMBL4696211 0.83 NTRK1 (0.61) NUAK1NTRK1
SCHEMBL4697302 0.83 NTRK1 (0.55) NUAK1NTRK1
SCHEMBL4697195 0.77 NTRK1 (0.47) NUAK1NTRK1NTRK3NTRK2
SCHEMBL3136977 0.76 NUAK1 (1.00) NUAK1NTRK1IGF1R
SCHEMBL4698219 0.75 NTRK1 (0.59) NUAK1NTRK1IGF1R
SCHEMBL3424837 0.73 NTRK1 (0.60) NUAK1NTRK1IGF1RNTRK3NTRK2
SCHEMBL3129628 0.71 NUAK1 (0.60) NUAK1NTRK1IGF1RNTRK3NTRK2
SCHEMBL4693854 0.71 NTRK1 (0.59) NUAK1NTRK1

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