SCHEMBL4066820

SCHEMBL4066820

CCOC(=O)c1cc(Nc2cc(C3CC3)n[nH]2)nc(N[C@@H](C)c2ccc(F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 15/20 0.47
GRK6 P43250 5/20 0.39
AURKA O14965 1/20 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
SCHEMBL4156718 0.86 NTRK1 (0.64) NTRK1
SCHEMBL4069131 0.83 IGF1R (0.45) NTRK1
SCHEMBL4074688 0.83 NTRK1 (0.46) NTRK1
SCHEMBL4072356 0.81 NTRK1 (0.55) NTRK1GRK6AURKA
SCHEMBL4070911 0.78 IGF1R (0.41) AURKA
SCHEMBL4072748 0.77 NTRK1 (0.47) NTRK1
SCHEMBL4073738 0.73 NTRK1 (0.56) NTRK1GRK6AURKA
SCHEMBL3337098 0.73 NTRK1 (0.74) NTRK1GRK6
SCHEMBL30009939 0.73 NTRK1 (0.74) NTRK1GRK6
SCHEMBL4065664 0.73 NTRK1 (0.74) NTRK1GRK6

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-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed