SCHEMBL3713384

SCHEMBL3713384

FC(F)(F)c1nnc2ccc(N3CCN(Cc4ccc(Cl)cc4)CC3)nn12.N#Cc1cccc(CN2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.71
KCNH2 Q12809 4/20 0.71
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
XBP1 P17861 1/20 0.46
HPGD P15428 1/20 0.46
DPP4 P27487 2/20 0.45
ALOX15 P16050 1/20 0.43
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLPP Q16740 4/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP21A2 P08686 1/20 0.38
CYP11B1 P15538 1/20 0.38
GPR6 P46095 1/20 0.38
RET P07949 1/20 0.37

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
SCHEMBL2268163 0.95 AR (0.73) ARKCNH2HTTTDP1MAPT
SCHEMBL2266240 0.91 AR (0.78) ARKCNH2HTTTDP1MAPT
SCHEMBL2266538 0.88 AR (0.92) ARKCNH2HTTTDP1MAPT
SCHEMBL2268677 0.88 AR (0.77) ARKCNH2HTTTDP1MAPT
SCHEMBL2266376 0.87 AR (0.67) ARKCNH2HTTTDP1MAPT
SCHEMBL2264735 0.84 AR (1.00) ARKCNH2HTTTDP1MAPT
SCHEMBL2263119 0.84 AR (0.83) ARKCNH2HTTTDP1MAPT
SCHEMBL2265096 0.83 AR (0.72) ARKCNH2HTTTDP1MAPT
SCHEMBL2268530 0.82 AR (0.66) ARKCNH2HTTTDP1MAPT
SCHEMBL2265119 0.82 AR (0.71) ARKCNH2HTTTDP1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed