SCHEMBL24348953

SCHEMBL24348953

COC(=O)NCc1nc(C)c(-c2csc(-c3cc4nn[nH]c4c(F)c3F)n2)s1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 3/20 0.65
▸ TGFBR1 P36897 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30

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
SCHEMBL24348428 0.88 BPGM (0.75) BPGMPIK3CGKDM4EMAPTHTT
SCHEMBL24348923 0.87 BPGM (0.60) BPGMTGFBR1PIK3CGKDM4EMAPT
SCHEMBL24349274 0.86 BPGM (0.63) BPGMTGFBR1PIK3CGKDM4EMAPT
SCHEMBL24348548 0.82 BPGM (0.77) BPGMPIK3CGKDM4EMAPTHTT
SCHEMBL24349409 0.82 BPGM (0.66) BPGMPIK3CGKDM4EMAPTHTT
SCHEMBL24271952 0.80 BPGM (0.68) BPGMPIK3CGKDM4EMAPTHTT
SCHEMBL24348943 0.79 BPGM (0.67) BPGMPIK3CGKDM4EMAPTHTT
SCHEMBL24348481 0.78 BPGM (0.49) BPGMPIK3CGKDM4EMAPTHTT
SCHEMBL24348948 0.77 BPGM (0.73) BPGMPIK3CGKDM4EMAPTHTT
SCHEMBL24348944 0.76 BPGM (0.68) BPGMTGFBR1PIK3CGMAPTALDH1A1

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-2022056449-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 — — WO disclosed
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