SCHEMBL31343085

SCHEMBL31343085

Cc1ccncc1N(c1ccc(C(F)(F)F)cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
SMO Q99835 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ABL1 P00519 1/20 0.47
LMNA P02545 1/20 0.47
GPR119 Q8TDV5 1/20 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
SCHEMBL31342957 0.87 CYP3A4 (0.65) CYP3A4CYP2C9CYP2C19SMOKDM4E
SCHEMBL25587676 0.81 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19
SCHEMBL31343040 0.81 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19
SCHEMBL31342810 0.81 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19SMOKDM4E
SCHEMBL31342999 0.80 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19GPR119
SCHEMBL31342968 0.79 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19
SCHEMBL31342870 0.79 CYP3A4 (0.55) CYP3A4CYP2C9CYP2C19
SCHEMBL31342795 0.77 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19SMOGPR119
SCHEMBL31342832 0.76 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL31343045 0.74 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19

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