SCHEMBL20828043

SCHEMBL20828043

CC1OCCn2ncc(N)c21

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.42
SMPD3 Q9NY59 1/20 0.31
MAP3K12 Q12852 2/20 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
SCHEMBL26775986 1.00 LRRK2 (0.42) LRRK2SMPD3MAP3K12
SCHEMBL26775847 1.00 LRRK2 (0.42) LRRK2SMPD3MAP3K12
SCHEMBL15528392 0.76 LRRK2 (0.42) LRRK2
SCHEMBL15528190 0.76 LRRK2 (0.42) LRRK2
SCHEMBL26644039 0.73 LRRK2 (0.38) LRRK2
SCHEMBL16470036 0.70 LRRK2 (0.41) LRRK2
SCHEMBL26643625 0.66 HTR1A (0.33) LRRK2
SCHEMBL22015524 0.63 SMPD3 (0.32) SMPD3
Hydrochloric Acid SCHEMBL20473846 0.63 SMPD3 (0.31) SMPD3
SCHEMBL20663913 0.62 MPO (0.46) LRRK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119317626-A Pyrrolidone derivatives as inhibitors of NF- κb-induced kinase 詹森药业有限公司 2025-01-14 CN disclosed
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
EP-2844658-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2019-03-20 EP disclosed