SCHEMBL6498903

SCHEMBL6498903

CSc1ccc(Nc2c(C(=O)OCC(N)=O)ccc(=O)n2C)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 13/20 0.52
MAP2K2 P36507 7/20 0.52
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MAP2K5 Q13163 1/20 0.37
EIF2AK1 Q9BQI3 1/20 0.37
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL6505772 0.88 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL6498803 0.87 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL390211 0.87 MAP2K1 (0.53) MAP2K1MAP2K2ALDH1A1KDM4EMAP2K5
SCHEMBL30827292 0.87 MAP2K1 (0.53) MAP2K1MAP2K2ALDH1A1KDM4EMAP2K5
SCHEMBL6505537 0.86 MAP2K1 (0.53) MAP2K1MAP2K2ALDH1A1MAP2K5EIF2AK1
SCHEMBL392155 0.85 MAP2K1 (0.65) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL6528775 0.82 MAP2K1 (0.74) MAP2K1MAP2K2ALDH1A1
SCHEMBL27769414 0.82 MAP2K1 (0.55) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL390408 0.82 MAP2K1 (0.53) MAP2K1MAP2K2ALDH1A1KDM4EMAP2K5
SCHEMBL12021694 0.81 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5EIF2AK1

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-2005000818-A1 5-SUBSTITUTED-4-`(SUBSTITUTED PHENYL)!AMINO!-2-PYRIDONE DEVIATIVES FOR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-01-06 WO claimed
WO-2005000818-A1 5-SUBSTITUTED-4-`(SUBSTITUTED PHENYL)!AMINO!-2-PYRIDONE DEVIATIVES FOR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-01-06 WO disclosed