SCHEMBL4070715

SCHEMBL4070715

CN(C)CCNc1nc(N[C@@H](CO)c2ccc(F)cc2)nc(Nc2cc(C3CC3)n[nH]2)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 18/20 0.55
IGF1R P08069 1/20 0.36
SOS1 Q07889 1/20 0.35

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
SCHEMBL27654738 1.00 NTRK1 (0.55) NTRK1IGF1RSOS1
SCHEMBL4072724 0.91 NTRK1 (0.61) NTRK1
SCHEMBL4072146 0.89 NTRK1 (0.57) NTRK1IGF1R
SCHEMBL4068820 0.89 NTRK1 (0.54) NTRK1
SCHEMBL4069692 0.88 NTRK1 (0.51) NTRK1
SCHEMBL4073723 0.87 NTRK1 (0.53) NTRK1
SCHEMBL4146685 0.86 NTRK1 (0.72) NTRK1IGF1R
SCHEMBL4072903 0.86 NTRK1 (0.54) NTRK1
SCHEMBL4071059 0.86 NTRK1 (0.64) NTRK1
SCHEMBL4068935 0.86 NTRK1 (0.64) NTRK1

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