SCHEMBL5774945

SCHEMBL5774945

Cc1nc(-c2cccc(C(F)(F)F)c2)c2[nH]c(-c3ccccc3)cc2n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 19/20 0.61
MAPK13 O15264 1/20 0.46
RAF1 P04049 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL5772065 0.86 NPY5R (0.50) NPY5R
SCHEMBL5774226 0.84 NPY5R (0.77) NPY5R
SCHEMBL5774435 0.82 NPY5R (0.48) NPY5R
SCHEMBL5772872 0.78 NPY5R (0.68) NPY5R
SCHEMBL5772100 0.77 NPY5R (0.71) NPY5R
SCHEMBL5776168 0.76 NPY5R (1.00) NPY5R
SCHEMBL5772401 0.76 NPY5R (0.70) NPY5R
Hydrochloric Acid SCHEMBL7190362 0.75 NPY5R (0.68) NPY5R
SCHEMBL5775210 0.75 NPY5R (0.78) NPY5R
SCHEMBL5774389 0.75 NPY5R (0.64) NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed