SCHEMBL6891066

SCHEMBL6891066

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1ccc(C(=O)N(C)C)nc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.66
MTOR P42345 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.38
MLNR O43193 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
CCR9 P51686 1/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
CYP11B1 P15538 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
PRKAA2 P54646 1/20 0.35

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
SCHEMBL6889350 0.89 AR (0.69) ARPTGDR2EGLN1CCR9CYP11B1
SCHEMBL6468113 0.89 AR (0.71) ARPTGDR2EGLN1CCR9FNTA
SCHEMBL6469801 0.86 AR (0.66) ARPTGDR2EGLN1FNTAFNTB
SCHEMBL6888241 0.86 AR (0.69) ARMTORPTGDR2EGLN1PRKAA2
SCHEMBL6469623 0.84 AR (0.77) ARMTORPTGDR2GRIA2GRIA4
SCHEMBL6464451 0.82 AR (0.80) ARPTGDR2CYP11B1
SCHEMBL6465983 0.80 AR (0.66) AR
SCHEMBL6468893 0.79 AR (0.75) ARCYP11B1
SCHEMBL6466407 0.79 AR (0.75) ARPTGDR2CYP11B1
SCHEMBL6469502 0.79 AR (0.75) ARCYP11B1

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
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed