SCHEMBL1821839

SCHEMBL1821839

CC(N)Cn1ccc(-c2cccc(C#N)c2Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 18/20 0.41
IKBKB O14920 1/20 0.32
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32

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
SCHEMBL1812954 0.84 AR (0.55) AR
SCHEMBL1813687 0.84 AR (0.55) AR
SCHEMBL1812956 0.84 AR (0.55) AR
SCHEMBL1817139 0.83 AR (0.44) AR
SCHEMBL1817136 0.83 AR (0.44) AR
SCHEMBL1816762 0.81 AR (0.41) ARJAK2TYK2
SCHEMBL1814084 0.77 HTR2A (0.41) AR
SCHEMBL1812527 0.76 AR (0.57) AR
SCHEMBL1813547 0.76 AR (0.57) AR
SCHEMBL1812528 0.76 AR (0.57) AR

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-2011051540-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2011-05-05 WO disclosed