SCHEMBL4697335

SCHEMBL4697335

CC(Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)C(O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.63
JAK2 O60674 1/20 0.44
CCNA2 P20248 7/20 0.41
CDK2 P24941 7/20 0.41
CCNA1 P78396 7/20 0.41
IGF1R P08069 5/20 0.39

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
SCHEMBL4695287 0.85 NTRK1 (0.62) NTRK1JAK2CCNA2CDK2CCNA1
SCHEMBL4696570 0.81 NTRK1 (0.75) NTRK1JAK2IGF1R
SCHEMBL56800 0.80 NTRK1 (0.79) NTRK1JAK2
SCHEMBL4750903 0.80 NTRK1 (0.79) NTRK1JAK2
SCHEMBL3774702 0.78 NTRK1 (1.00) NTRK1JAK2
SCHEMBL3766966 0.76 NTRK1 (1.00) NTRK1JAK2
SCHEMBL4697091 0.76 NTRK1 (0.65) NTRK1JAK2
SCHEMBL4694035 0.73 NTRK1 (0.54) NTRK1JAK2IGF1R
SCHEMBL4696455 0.71 NTRK1 (0.64) NTRK1JAK2
SCHEMBL4694151 0.70 NTRK1 (0.55) NTRK1JAK2CCNA2CDK2CCNA1

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