SCHEMBL4080085

SCHEMBL4080085

CCNC(=O)Nc1cn2ccc(OC(N)=O)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.37
PIM1 P11309 1/20 0.37
MAPK1 P28482 1/20 0.37
AURKB Q96GD4 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL4083078 0.90 KDM4E (0.38) ABL1PIM1MAPK1AURKB
SCHEMBL4081284 0.89 MAPK1 (0.39) ABL1PIM1MAPK1AURKBPIK3CA
SCHEMBL4081474 0.82 PIK3CA (0.45) PIK3CA
SCHEMBL13633508 0.80 METTL3 (0.42)
SCHEMBL4075215 0.79
SCHEMBL4081401 0.79
SCHEMBL4076078 0.79 MAPK1 (0.44) MAPK1PIK3CA
SCHEMBL4077505 0.76 ABL1 (0.46) ABL1PIK3CA
SCHEMBL4076024 0.75
SCHEMBL4074418 0.75 MAP3K5 (0.46)

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
EP-1737459-B1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2009-08-05 EP claimed