SCHEMBL6239462

SCHEMBL6239462

Cc1c(-c2coc(N)n2)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.44
MPL P40238 3/20 0.41
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
HSD11B1 P28845 3/20 0.36
SCN9A Q15858 2/20 0.36
PTPN1 P18031 1/20 0.34
TLR8 Q9NR97 1/20 0.34
PIK3CD O00329 4/20 0.33
PIK3C2B O00750 4/20 0.33
MTOR P42345 4/20 0.33
PIK3CG P48736 3/20 0.33
BACE1 P56817 1/20 0.33
P2RX7 Q99572 1/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL6240121 0.82 MPL (0.40) NOTUMMPLALOX5APFEN1SCN9A
SCHEMBL14910950 0.71 NOTUM (0.50) NOTUMMPLHSD11B1BACE1
SCHEMBL6234055 0.71 ESR2 (0.43) ALOX5APFEN1SCN9A
SCHEMBL6236903 0.70 AR (0.44) ALOX5APFEN1
SCHEMBL20242216 0.69 MPL (0.51) NOTUMMPLALOX5APFEN1TLR8
SCHEMBL4835226 0.68 ENPP1 (0.50) TLR8
SCHEMBL26375542 0.67 ENPP3 (0.44) NOTUMHSD11B1SCN9APTPN1
SCHEMBL16481960 0.67 PDK2 (0.51) NOTUMHSD11B1
SCHEMBL6238840 0.67 XDH (0.52) NOTUMTLR8PIK3CDPIK3CGPIK3CA
SCHEMBL6630838 0.67 TAS2R14 (0.46) NOTUMMPLHSD11B1P2RX7

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