SCHEMBL23965734

SCHEMBL23965734

C=C(c1cc(NCc2ccc(F)cc2C)c2nc(C)c(C)n2c1)N1CC(F)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.47
CYP2C9 P11712 20/20 0.47
CYP2D6 P10635 8/20 0.44
CYP2C19 P33261 6/20 0.44
CYP1A2 P05177 5/20 0.44

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
SCHEMBL23965714 0.93 CYP3A4 (0.47) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL20987022 0.90 CYP3A4 (0.47) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL23965773 0.89 CYP3A4 (0.49) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL23965822 0.88 CYP3A4 (0.50) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL23965774 0.85 CYP3A4 (0.46) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL20987003 0.83 CYP3A4 (0.47) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL20987044 0.83 CYP3A4 (0.47) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL23965755 0.82 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL20986996 0.81 CYP3A4 (0.46) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL20987013 0.81 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481827-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USE THEREOF JEIL PHARMACEUTICAL CO LTD (KR) 2021-11-03 EP disclosed