SCHEMBL22926079

SCHEMBL22926079

COc1ccc(COc2cc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cnc2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 3/20 0.45
▸ GSK3B P49841 1/20 0.44
▸ FLT1 P17948 5/20 0.44
▸ FLT4 P35916 5/20 0.44
▸ KDR P35968 5/20 0.44
▸ PDE2A O00408 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.40
▸ VCP P55072 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL29620874 1.00 IMPDH2 (0.45) IMPDH2GSK3BFLT1FLT4KDR
SCHEMBL29620887 0.90 IMPDH2 (0.38) IMPDH2GSK3BFLT1FLT4KDR
SCHEMBL22925755 0.90 IMPDH2 (0.38) IMPDH2GSK3BFLT1FLT4KDR
SCHEMBL22925794 0.89 IMPDH2 (0.41) IMPDH2FLT1FLT4KDRVCP
SCHEMBL29696282 0.89 IMPDH2 (0.41) IMPDH2FLT1FLT4KDRVCP
SCHEMBL22926054 0.87 GSK3B (0.41) IMPDH2GSK3BFLT1FLT4KDR
SCHEMBL29621081 0.87 GSK3B (0.41) IMPDH2GSK3BFLT1FLT4KDR
SCHEMBL22925907 0.86 GSK3B (0.42) IMPDH2GSK3BPDE2ATRPV1MAPT
SCHEMBL22925873 0.83 IMPDH2 (0.45) IMPDH2GSK3BFLT1FLT4KDR
SCHEMBL22926080 0.83 IMPDH2 (0.43) IMPDH2GSK3BFLT1FLT4KDR

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
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 — — CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 — — WO disclosed
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