SCHEMBL5326656

SCHEMBL5326656

Cc1nc2c(O)c(CC[C@@H](O)c3ccc(F)cc3)c(C(=O)N(C)C)cn2c1C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.32
GABRA1 P14867 3/20 0.32
GABRB2 P47870 3/20 0.32
CXCR2 P25025 4/20 0.31
CXCR1 P25024 1/20 0.31

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
SCHEMBL5326677 1.00 AOC3 (0.32) AOC3GABRA1GABRB2CXCR2CXCR1
SCHEMBL5326673 1.00 AOC3 (0.32) AOC3GABRA1GABRB2CXCR2CXCR1
SCHEMBL5451120 0.90 PRKDC (0.34) CXCR2CXCR1
SCHEMBL5566372 0.90 PRKDC (0.34) CXCR2CXCR1
SCHEMBL4977432 0.90 PRKDC (0.34) CXCR2CXCR1
SCHEMBL5328449 0.85 KDM4E (0.33)
SCHEMBL5328452 0.85 KDM4E (0.33)
SCHEMBL5324424 0.85 KDM4E (0.33)
SCHEMBL5330153 0.83 CYP3A4 (0.34)
SCHEMBL5327758 0.83 CYP3A4 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007141253-A1 PROCESS FOR THE PRODUCTION OF INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC IMIDAZOPYRIDINES NYCOMED GMBH (DE) 2007-12-13 WO claimed
WO-2007141253-A1 PROCESS FOR THE PRODUCTION OF INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC IMIDAZOPYRIDINES NYCOMED GMBH (DE) 2007-12-13 WO disclosed