Sugi Predict

Sugi Predict / Compounds / SCHEMBL6505537

SCHEMBL6505537

SCHEMBL6505537

CCc1ccc(Nc2c(C(=O)OCC(N)=O)ccc(=O)n2C)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 18/20 0.53
▸ MAP2K2 P36507 11/20 0.53
▸ ALDH1A1 P00352 1/20 0.40
▸ MAP2K5 Q13163 1/20 0.38
▸ EIF2AK1 Q9BQI3 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6494484 0.86 MAP2K1 (0.50) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL6498903 0.86 MAP2K1 (0.52) MAP2K1MAP2K2ALDH1A1MAP2K5EIF2AK1
SCHEMBL6498803 0.73 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL392555 0.73 MAP2K1 (0.57) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL388850 0.73 MAP2K1 (0.51) MAP2K1MAP2K2
SCHEMBL29781366 0.73 MAP2K1 (0.57) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14748182 0.72 MAP2K1 (0.65) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL31236937 0.71 MAP2K1 (0.64) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL393663 0.71 MAP2K1 (0.64) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL30827292 0.71 MAP2K1 (0.53) MAP2K1MAP2K2ALDH1A1MAP2K5EIF2AK1

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
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