SCHEMBL31342852

SCHEMBL31342852

COc1ccncc1N(c1ccc(C(F)(F)F)nc1)C1CCN(c2ccc(C#N)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GPR119 Q8TDV5 1/20 0.41
TIPARP Q7Z3E1 5/20 0.37
LCAT P04180 1/20 0.36

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
SCHEMBL31342795 0.91 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19GPR119
SCHEMBL31342844 0.90 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19
SCHEMBL31342842 0.84 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19GPR119TIPARP
SCHEMBL31342843 0.81 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19
SCHEMBL31342879 0.81 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19GPR119
SCHEMBL31342957 0.80 CYP3A4 (0.65) CYP3A4CYP2C9CYP2C19GPR119
SCHEMBL31343043 0.80 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19
SCHEMBL31342875 0.79 CYP3A4 (0.40) CYP3A4
SCHEMBL31343083 0.78 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19
SCHEMBL31342857 0.77 CYP3A4 (0.46) CYP3A4GPR119

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