SCHEMBL28300700

SCHEMBL28300700

CNc1nc(-c2ccc(F)cc2)c(C(=O)O)c(C(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.47
GCGR P47871 2/20 0.44
SCN9A Q15858 1/20 0.43
DHODH Q02127 11/20 0.39
PDE10A Q9Y233 1/20 0.36
ADORA2B P29275 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
SCHEMBL28302219 0.99 ADORA1 (0.46) ADORA1GCGRSCN9ADHODHPDE10A
SCHEMBL1752147 0.87 GCGR (0.56) ADORA1GCGRSCN9ADHODH
SCHEMBL2211 0.83 ALDH1A1 (0.47) GCGR
SCHEMBL10153184 0.82 GCGR (0.43) GCGRDHODHPDE10A
SCHEMBL6082682 0.81 ADORA2A (0.44) ADORA1GCGRSCN9ADHODHPDE10A
SCHEMBL16429685 0.80 GCGR (0.57) ADORA1GCGRSCN9A
SCHEMBL527760 0.79 ADORA1 (0.49) ADORA1GCGRSCN9AADORA2B
SCHEMBL10433875 0.79 HMGCR (0.48) GCGRDHODHPDE10A
SCHEMBL10434011 0.79 HMGCR (0.44) GCGRDHODHPDE10A
SCHEMBL10129581 0.79 DHODH (0.44) GCGRDHODHPDE10A

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
CN-109796414-A A method of continuously preparing Rosuvastatin intermediate using microchannel module reaction unit 中国药科大学 2019-05-24 CN disclosed