SCHEMBL6998634

SCHEMBL6998634

CCc1cc(-c2cc(NC(=O)C3Cc4cc5ccccc5n4C3)n[nH]2)ccn1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 14/20 0.63
FLT3 P36888 1/20 0.42
USP30 Q70CQ3 2/20 0.40
GSK3B P49841 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
FOXO1 Q12778 1/20 0.36

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
SCHEMBL6994443 0.82 NPY5R (0.79) NPY5RFLT3USP30GSK3BMAPK8
SCHEMBL6998167 0.81 NPY5R (0.67) NPY5RFLT3USP30
SCHEMBL6994138 0.77 NPY5R (1.00) NPY5RFLT3GSK3BMAPK8MAPK9
SCHEMBL6994136 0.72 NPY5R (0.89) NPY5RFLT3GSK3BMAPK8MAPK9
SCHEMBL6994084 0.70 NPY5R (0.86) NPY5RFLT3GSK3BMAPK8MAPK9
SCHEMBL6991821 0.66 NPY5R (0.76) NPY5RUSP30GSK3BFOXO1
SCHEMBL6999024 0.66 NPY5R (0.73) NPY5RFLT3USP30
SCHEMBL6998923 0.66 NPY5R (0.80) NPY5RFLT3GSK3BMAPK8MAPK9
SCHEMBL6998964 0.65 NPY5R (0.78) NPY5RFLT3USP30
SCHEMBL6993088 0.65 NPY5R (0.76) NPY5RUSP30GSK3BFOXO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945438-B1 PYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-05 EP claimed
EP-0945438-A1 PYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP claimed
EP-0945438-B1 PYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-05 EP disclosed
US-6057335-A Pyrazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-05-02 US disclosed
EP-0945438-A1 PYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed