SCHEMBL31342888

SCHEMBL31342888

CCc1ccncc1N(c1ccc(C(F)F)nc1)C1CCN(c2ncc(C#N)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.41
AOC3 Q16853 1/20 0.34
GPR119 Q8TDV5 7/20 0.34
KCNH2 Q12809 3/20 0.34
CHRM4 P08173 2/20 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
SCHEMBL31342863 0.87 CYP3A4 (0.44) CYP3A4GPR119KCNH2
SCHEMBL31342932 0.86 CYP3A4 (0.42) CYP3A4CHRM4
SCHEMBL31343083 0.76 CYP3A4 (0.46) CYP3A4
SCHEMBL31342866 0.75 CYP3A4 (0.40) CYP3A4
SCHEMBL31342913 0.74 CYP3A4 (0.40) CYP3A4GPR119KCNH2
SCHEMBL31342970 0.74 CYP3A4 (0.46) CYP3A4
SCHEMBL31342844 0.73 CYP3A4 (0.44) CYP3A4
SCHEMBL31342954 0.73 CYP3A4 (0.45) CYP3A4
SCHEMBL31342857 0.73 CYP3A4 (0.46) CYP3A4GPR119
SCHEMBL31343043 0.72 CYP3A4 (0.52) CYP3A4

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-2025049495-A1 TERTIARY PYRIDYL AMINE MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYLINATION GENENTECH, INC. (US) 2025-03-06 WO disclosed