SCHEMBL24920802

SCHEMBL24920802

COc1cncc(-c2ncno2)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.38
CYP11B2 P19099 2/20 0.38
CYP11B1 P15538 1/20 0.37
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PDE10A Q9Y233 2/20 0.32
SYK P43405 3/20 0.32

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
SCHEMBL24921238 0.77 BTK (0.42) PDE10A
SCHEMBL24921976 0.76 SIRT6 (0.36) PDE10A
SCHEMBL24920887 0.73 CYP11B2 (0.38) LRRK2CYP11B2CYP11B1PDE10A
SCHEMBL24920820 0.72 CYP2C19 (0.38)
SCHEMBL24921972 0.72 MAOB (0.35) PDE10A
SCHEMBL24920829 0.70 MAPT (0.41) LRRK2CYP11B2CYP11B1SYK
SCHEMBL24920799 0.70 CYP11B2 (0.40) LRRK2CYP11B2CYP11B1PIM1PIM3
SCHEMBL24920814 0.69 CYP11B2 (0.39) LRRK2CYP11B2CYP11B1PIM1PIM3
SCHEMBL6249005 0.69 CYP11B2 (0.39) LRRK2CYP11B2CYP11B1PIM1PIM3
SCHEMBL3063023 0.69 CYP11B2 (0.41) CYP11B2CYP11B1

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-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed