SCHEMBL7921907

SCHEMBL7921907

CNc1nc(-c2ccc(F)cc2)c(CBr)c(C(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.46
GCGR P47871 18/20 0.43
SCN9A Q15858 1/20 0.42

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
SCHEMBL16429685 0.87 GCGR (0.57) ADORA1GCGRSCN9A
SCHEMBL2344474 0.83 ADORA1 (0.48) ADORA1GCGRSCN9A
SCHEMBL526597 0.83 GCGR (0.45) ADORA1GCGRSCN9A
SCHEMBL3264910 0.82 GCGR (0.41) GCGR
SCHEMBL4452687 0.81 GCGR (0.46) GCGR
SCHEMBL527760 0.81 ADORA1 (0.49) ADORA1GCGRSCN9A
SCHEMBL16429686 0.81 GCGR (0.49) GCGR
SCHEMBL2340032 0.80 ADORA1 (0.48) ADORA1GCGRSCN9A
SCHEMBL2340089 0.80 ADORA1 (0.48) ADORA1GCGRSCN9A
SCHEMBL4455298 0.80 GCGR (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598484-B1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS (SI) 2016-06-29 EP disclosed
EP-2391609-B1 KEY INTERMEDIATES FOR THE SYNTHESIS OF ROSUVASTATIN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS (SI) 2015-01-28 EP disclosed
WO-2010086438-A1 KEY INTERMEDIATES FOR THE SYNTHESIS OF ROSUVASTATIN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2010-08-05 WO disclosed