SCHEMBL15310067

SCHEMBL15310067

CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(CP(=O)(O)O)c(C(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.40
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37

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
SCHEMBL17975734 0.88 GCGR (0.53) GCGR
SCHEMBL2306437 0.85 JAK1 (0.38) GCGR
SCHEMBL4773885 0.84 GCGR (0.41) GCGR
SCHEMBL3264910 0.84 GCGR (0.41) GCGR
SCHEMBL15139859 0.82 GCGR (0.39) GCGR
SCHEMBL2218431 0.81 GCGR (0.47) GCGR
Bromide SCHEMBL426277 0.80 JAK1 (0.36) GCGR
SCHEMBL1785167 0.80 GCGR (0.40) GCGR
SCHEMBL2220970 0.80 GCGR (0.48) GCGR
SCHEMBL2221425 0.78 PTGS2 (0.37) GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351762-B1 NOVEL PYRIMIDINE DERIVATIVE AND METHOD FOR PRODUCING HMG-CoA REDUCTASE INHIBITOR INTERMEDIATE KANEKA CORP (JP) 2013-10-16 EP disclosed