SCHEMBL4900453

SCHEMBL4900453

CC(Nc1nc(NCCO)cc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 16/20 0.79
JAK2 O60674 1/20 0.54
JAK3 P52333 1/20 0.54
IGF1R P08069 1/20 0.48
PAK3 O75914 1/20 0.48
PAK1 Q13153 1/20 0.48
PAK2 Q13177 1/20 0.48

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
SCHEMBL4077514 1.00 NTRK1 (0.79) NTRK1JAK2JAK3IGF1RPAK3
SCHEMBL4073788 0.89 NTRK1 (1.00) NTRK1JAK2JAK3IGF1R
SCHEMBL4144577 0.86 NTRK1 (1.00) NTRK1JAK2JAK3IGF1R
SCHEMBL4075967 0.86 NTRK1 (0.78) NTRK1JAK2JAK3
SCHEMBL4780657 0.86 NTRK1 (0.78) NTRK1JAK2JAK3
SCHEMBL4165529 0.84 NTRK1 (0.77) NTRK1JAK2JAK3IGF1RPAK3
SCHEMBL22535576 0.81 NTRK1 (0.68) NTRK1JAK2JAK3IGF1R
SCHEMBL4156718 0.80 NTRK1 (0.64) NTRK1JAK2JAK3IGF1R
SCHEMBL22535694 0.80 NTRK1 (0.70) NTRK1JAK2JAK3IGF1R
SCHEMBL22535847 0.80 NTRK1 (0.70) NTRK1JAK2JAK3IGF1R

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