SCHEMBL31534409

SCHEMBL31534409

COCC(=O)Nc1cc(NCc2c(C)cc(F)cc2C)c2nc(C)c(C)n2c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.46
CYP2C9 P11712 19/20 0.46
CYP2D6 P10635 9/20 0.46
CYP2C19 P33261 7/20 0.44
CYP1A2 P05177 6/20 0.44
ALDH1A1 P00352 1/20 0.39

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
Citric Acid SCHEMBL31534482 0.91 CYP3A4 (0.40) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534564 0.90 CYP3A4 (0.45) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534437 0.90 CYP3A4 (0.58) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534403 0.89 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534426 0.88 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534359 0.87 CYP3A4 (0.52) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL31534518 0.87 CYP3A4 (0.47) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534413 0.87 CYP3A4 (0.50) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534539 0.86 CYP3A4 (0.46) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL31534567 0.86 CYP3A4 (0.49) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2

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-2025058459-A1 NOVEL IMIDAZOPYRIDINE-BASED COMPOUND AND COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING, ALLEVIATING, OR TREATING GASTROINTESTINAL INFLAMMATORY DISEASES OR GASTRIC ACID-RELATED DISEASES (주)휴온스 2025-03-20 WO claimed
WO-2025058459-A1 NOVEL IMIDAZOPYRIDINE-BASED COMPOUND AND COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING, ALLEVIATING, OR TREATING GASTROINTESTINAL INFLAMMATORY DISEASES OR GASTRIC ACID-RELATED DISEASES (주)휴온스 2025-03-20 WO disclosed