SCHEMBL9524280

SCHEMBL9524280

CC(C)c1nc2[nH]c(=O)ccc2c(-c2ccc(F)cc2)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.43
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MAPK13 O15264 4/20 0.37
MAPK12 P53778 4/20 0.37
MAPK11 Q15759 4/20 0.37
MAPK14 Q16539 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
TNKS2 Q9H2K2 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
SCHEMBL9791356 0.89 GCGR (0.40) GCGRADORA2AADORA1PDE3BPDE3A
SCHEMBL9523672 0.89 GCGR (0.40) GCGRADORA2AADORA1PDE3BPDE3A
SCHEMBL9698112 0.83 GCGR (0.44) GCGRMAPK14CYP1A2CYP2C19
SCHEMBL9527126 0.80 GCGR (0.60) GCGR
SCHEMBL8949603 0.79 GCGR (0.58) GCGRMAPK14
SCHEMBL9382441 0.78 GCGR (0.42) GCGRADORA2AADORA1MAPK14CYP1A2
SCHEMBL9791355 0.77 HMGCR (0.47) GCGR
SCHEMBL9523457 0.76 HMGCR (0.48) GCGR
SCHEMBL9525348 0.76 HMGCR (0.65)
SCHEMBL9525358 0.76 HMGCR (0.65)

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-0391185-B1 Substituted 1,8-naphthyridines BAYER AG (DE) 1993-12-29 EP disclosed
US-5034399-A Enzyme inhibitors, anticholesterol agents or antilipemic agents BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed
EP-0391185-A1 Substituted 1,8-naphthyridines BAYER AG (DE) 1990-10-10 EP disclosed