SCHEMBL4878718

SCHEMBL4878718

O=C(NCCN1CCOCC1)c1cc(Nc2cc(C3CC3)[nH]n2)nc(NC(CO)c2ccc(F)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.68
IGF1R P08069 16/20 0.61

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
SCHEMBL4147206 1.00 NTRK1 (0.68) NTRK1IGF1R
SCHEMBL4077780 0.88 NTRK1 (0.56) NTRK1IGF1R
SCHEMBL4144052 0.84 NTRK1 (0.60) NTRK1IGF1R
SCHEMBL4163628 0.81 NTRK1 (1.00) NTRK1IGF1R
SCHEMBL4151801 0.80 NTRK1 (0.59) NTRK1IGF1R
SCHEMBL4077805 0.76 NTRK1 (0.69) NTRK1IGF1R
SCHEMBL4148218 0.76 IGF1R (0.58) NTRK1IGF1R
SCHEMBL11343024 0.76 IGF1R (1.00) IGF1R
SCHEMBL4069119 0.75 NTRK1 (0.76) NTRK1IGF1R
SCHEMBL14050659 0.74 IGF1R (0.70) IGF1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877057-A1 USE OF PYRAZOLYL-PYRIMIDINE DERIVATIVES IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2008-01-16 EP disclosed
WO-2006115452-A1 USE OF PYRAZOLYL-PYRIMIDINE DERIVATIVES IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-11-02 WO disclosed