SCHEMBL31342866

SCHEMBL31342866

COc1ccncc1N(c1ccc(OC(F)F)nc1)C1CCN(c2ncc(C#N)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.40
KDM1A O60341 2/20 0.34
GPR6 P46095 2/20 0.34
KIT P10721 3/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
TNIK Q9UKE5 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
JAK3 P52333 1/20 0.31

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
SCHEMBL31342995 0.90 CYP3A4 (0.39) CYP3A4GPR6KITCHRNB4CHRNA3
SCHEMBL31343024 0.87 CYP3A4 (0.41) CYP3A4GPR6TNIK
SCHEMBL31342893 0.86 CYP3A4 (0.39) CYP3A4GPR6HCRTR1HCRTR2
SCHEMBL31342844 0.86 CYP3A4 (0.44) CYP3A4
SCHEMBL31342857 0.85 CYP3A4 (0.46) CYP3A4GPR6KITTNIKCHRNB4
SCHEMBL31343043 0.85 CYP3A4 (0.52) CYP3A4
SCHEMBL31342842 0.82 CYP3A4 (0.40) CYP3A4
SCHEMBL31342929 0.82 HCRTR1 (0.33) CYP3A4HCRTR1HCRTR2CHRNB4CHRNA3
SCHEMBL31343044 0.81 HCRTR1 (0.35) HCRTR1HCRTR2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL31342858 0.81 HCRTR1 (0.35) HCRTR1HCRTR2CHRNB4CHRNA3

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