SCHEMBL6584833

SCHEMBL6584833

Cc1cccc(-c2cc(NC(=O)Cc3cccc4ccccc34)n[nH]2)n1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.66
CDK2 P24941 2/20 0.60
CCNA2 P20248 1/20 0.60
CCNA1 P78396 1/20 0.60
MAPK8 P45983 3/20 0.52
MAPK9 P45984 3/20 0.52
MAPK10 P53779 3/20 0.52
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CCNE1 P24864 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45

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
SCHEMBL6584962 0.85 NPY5R (0.63) NPY5RCDK2CCNA2CCNA1MAPK8
SCHEMBL6584827 0.83 NPY5R (0.64) NPY5RCDK2CCNA2CCNA1MAPK8
SCHEMBL6586725 0.82 NPY5R (0.71) NPY5RCDK2CCNA2CCNA1MAPK8
SCHEMBL6581866 0.81 NPY5R (0.78) NPY5RCDK2CCNA2CCNA1MAPK8
SCHEMBL6584650 0.80 NPY5R (1.00) NPY5RCDK2CCNA2CCNA1MEN1
SCHEMBL6584850 0.79 NPY5R (0.76) NPY5RCDK2CCNA2CCNA1MAPK8
SCHEMBL6388806 0.78 CCNA2 (0.68) NPY5RCDK2CCNA2CCNA1MAPK8
SCHEMBL6585287 0.78 NPY5R (0.71) NPY5RCDK2CCNA2CCNA1MAPK8
SCHEMBL6582913 0.77 NPY5R (0.66) NPY5RCDK2CCNA2CCNA1MAPK8
SCHEMBL6584303 0.76 NPY5R (0.68) NPY5RCDK2CCNA2CCNA1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945440-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-05-26 EP claimed
US-6180653-B1 EATING DISORDERS; DIETETICS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-01-30 US claimed
EP-0945440-A1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP claimed
EP-0945440-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-05-26 EP disclosed
US-6180653-B1 EATING DISORDERS; DIETETICS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-01-30 US disclosed
EP-0945440-A1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed