SCHEMBL22889708

SCHEMBL22889708

COc1c(C#N)cnc(C(=O)O)c1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.38
SRC P12931 2/20 0.37
LRRK2 Q5S007 5/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.35
XDH P47989 2/20 0.35
F11 P03951 1/20 0.34
GPR35 Q9HC97 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL22890059 0.82 LRRK2 (0.45) LRRK2
SCHEMBL28180665 0.78 AGXT (0.45) HPGD
SCHEMBL22890818 0.78 LRRK2 (0.48) LRRK2XDH
SCHEMBL29644137 0.78 LRRK2 (0.48) LRRK2XDH
SCHEMBL21045937 0.77 TPMT (0.39) HPGDGPR35
SCHEMBL29771512 0.76 HSD17B10 (0.41) IMPDH2HPGDGPR35
SCHEMBL22890254 0.76 HSD17B10 (0.41) IMPDH2HPGDGPR35
SCHEMBL22890472 0.74 LRRK2 (0.48) LRRK2XDH
SCHEMBL22890422 0.74 LRRK2 (0.48) LRRK2
SCHEMBL31645961 0.73 LRRK2 (0.43) LRRK2HPGDGAAXDH

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-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 WO disclosed