SCHEMBL4083078

SCHEMBL4083078

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABL1 P00519 1/20 0.38
PIM1 P11309 1/20 0.38
MAPK1 P28482 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL4081284 0.90 MAPK1 (0.39) ABL1PIM1MAPK1AURKB
SCHEMBL4080085 0.90 ABL1 (0.37) ABL1PIM1MAPK1AURKB
SCHEMBL4076078 0.82 MAPK1 (0.44) MAPK1
SCHEMBL13633508 0.81 METTL3 (0.42)
SCHEMBL4075215 0.80
SCHEMBL4081401 0.80
SCHEMBL4081474 0.79 PIK3CA (0.45)
SCHEMBL4076024 0.76
SCHEMBL4074418 0.76 MAP3K5 (0.46)
SCHEMBL13633545 0.76

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