SCHEMBL6236903

SCHEMBL6236903

N#Cc1cccc(-c2coc(N)n2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.44
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA3 P34903 3/20 0.34
ADORA1 P30542 4/20 0.33
PDK2 Q15119 1/20 0.33
GABRA5 P31644 2/20 0.32
ADORA2A P29274 3/20 0.32
ADORA2B P29275 3/20 0.32
TGFBR1 P36897 1/20 0.32
ATR Q13535 1/20 0.32
HTT P42858 1/20 0.31
CTSK P43235 2/20 0.31
CTSS P25774 1/20 0.31
TRPA1 O75762 1/20 0.31
NFATC1 O95644 1/20 0.31
GSK3B P49841 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
SCHEMBL28559290 0.81 ATR (0.44) ALOX5APFEN1GABRG2GABRB3GABRA3
SCHEMBL14065408 0.80 HTT (0.41) ALOX5APFEN1ADORA1ADORA2AADORA2B
SCHEMBL6240121 0.70 MPL (0.40) ALOX5APFEN1ATR
SCHEMBL6239462 0.70 NOTUM (0.44) ALOX5APFEN1
SCHEMBL25983090 0.70 AR (0.46) ARPDK2
SCHEMBL582563 0.69 CYP1A2 (0.47) ARPDK2
SCHEMBL21357776 0.68 AR (0.47) ARGABRA1GABRG2GABRB3GABRA3
SCHEMBL14065409 0.68 CA1 (0.40) ADORA1ADORA2AADORA2B
SCHEMBL30635279 0.67 AR (0.45) ARGABRA1GABRG2GABRB3GABRA3
SCHEMBL20242216 0.66 MPL (0.51) ALOX5APFEN1ADORA2A

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-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed