SCHEMBL29174658

SCHEMBL29174658

Clc1ncc(Cl)c(OCC2CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.40
CNR2 P34972 11/20 0.38
CNR1 P21554 2/20 0.36
CDK2 P24941 1/20 0.35
SYK P43405 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
SCHEMBL30725513 1.00 LRRK2 (0.40) LRRK2CNR2CNR1CDK2SYK
SCHEMBL25019280 0.88 LRRK2 (0.36) LRRK2CNR2CNR1
SCHEMBL17196815 0.85 CACNA1G (0.35) LRRK2SYK
SCHEMBL26980843 0.84 LRRK2 (0.43) LRRK2CNR2CNR1
SCHEMBL19510913 0.83 LRRK2 (0.48) LRRK2
SCHEMBL25677309 0.82 LRRK2 (0.42) LRRK2CNR2CNR1
SCHEMBL5723291 0.80 PIN1 (0.52) LRRK2CNR2CNR1CDK2
SCHEMBL27082410 0.77 LRRK2 (0.37) LRRK2CDK2
SCHEMBL17196754 0.77 PDCD1 (0.41) LRRK2CNR2SYK
SCHEMBL17196817 0.77 ABL1 (0.40) LRRK2CDK2

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
CN-117430589-A 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-01-23 CN disclosed