SCHEMBL14248583

SCHEMBL14248583

CC(C)c1nc(O)nc(-c2ccc(F)cc2)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.43
RET P07949 1/20 0.41
CSNK1D P48730 2/20 0.40
CSNK1E P49674 2/20 0.40
SCN9A Q15858 4/20 0.37
DHODH Q02127 1/20 0.37
FPR2 P25090 1/20 0.37
TNIK Q9UKE5 1/20 0.37
LMNA P02545 2/20 0.36
SQOR Q9Y6N5 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TGFBR1 P36897 1/20 0.36
TGFBR2 P37173 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
SCHEMBL10153184 0.87 GCGR (0.43) GCGRDHODH
SCHEMBL1751791 0.84 GCGR (0.58) GCGRSCN9ADHODHFPR2LMNA
SCHEMBL30716573 0.84 GCGR (0.58) GCGRSCN9ADHODHFPR2LMNA
SCHEMBL10434207 0.82 HMGCR (0.47) GCGRSCN9ADHODHFPR2TNIK
SCHEMBL2221508 0.81 GCGR (0.41) GCGRALDH1A1
SCHEMBL30716577 0.80 ADORA1 (0.43) GCGRSCN9ADHODH
SCHEMBL30701856 0.79 GCGR (0.51) GCGR
SCHEMBL29185525 0.79 GCGR (0.51) GCGR
SCHEMBL13118740 0.78 GCGR (0.51) GCGR
SCHEMBL2340258 0.77 GCGR (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402118-A Preparation method of rosuvastatin calcium intermediate 江苏阿尔法集团福瑞药业(宿迁)有限公司 2024-01-16 CN claimed
WO-2012172564-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN CALCIUM DR. REDDY'S LABORATORIES LIMITED (IN) 2012-12-20 WO claimed
CN-117402118-A Preparation method of rosuvastatin calcium intermediate 江苏阿尔法集团福瑞药业(宿迁)有限公司 2024-01-16 CN disclosed
WO-2012172564-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN CALCIUM DR. REDDY'S LABORATORIES LIMITED (IN) 2012-12-20 WO disclosed