SCHEMBL31342879

SCHEMBL31342879

N#Cc1cnc(N2CCC(N(c3ccc(C(F)(F)F)nc3)c3cnccc3OC3CC3)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.43
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPR119 Q8TDV5 3/20 0.33
KCNH2 Q12809 2/20 0.33
SCD O00767 1/20 0.33

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
SCHEMBL31342844 0.91 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19
SCHEMBL31342892 0.91 CYP3A4 (0.51) CYP3A4CYP2C9CYP2C19SCD
SCHEMBL31343083 0.86 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19
SCHEMBL31342970 0.86 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19
SCHEMBL31342954 0.85 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19
SCHEMBL31342863 0.84 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19GPR119KCNH2
SCHEMBL31342964 0.81 CYP3A4 (0.40) CYP3A4KCNH2
SCHEMBL31343043 0.81 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19
SCHEMBL31342852 0.81 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19GPR119
SCHEMBL31342843 0.80 CYP3A4 (0.52) 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