SCHEMBL30605628

SCHEMBL30605628

Clc1cc(N2C[C@@H]3C[C@H]2CO3)ncn1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 15/20 0.45
▸ LRRK2 Q5S007 2/20 0.44
▸ DLK1 P80370 1/20 0.43
▸ MAP3K13 O43283 1/20 0.41
▸ ADK P55263 1/20 0.40

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
SCHEMBL26604159 0.79 MAP3K12 (0.48) MAP3K12DLK1MAP3K13
SCHEMBL21262505 0.76 MAP3K12 (0.51) MAP3K12DLK1MAP3K13
SCHEMBL30137192 0.76 MAP3K12 (0.51) MAP3K12DLK1MAP3K13
SCHEMBL31322038 0.75 SOS1 (0.45) MAP3K12DLK1MAP3K13
SCHEMBL20929671 0.75 KMT2A (0.44) MAP3K12LRRK2
SCHEMBL26379020 0.74 MAP3K12 (0.51) MAP3K12MAP3K13
SCHEMBL26794864 0.73 MAP3K12 (0.48) MAP3K12DLK1MAP3K13ADK
SCHEMBL26794869 0.73 MAP3K12 (0.48) MAP3K12DLK1MAP3K13ADK
SCHEMBL22409840 0.72 LRRK2 (0.50) MAP3K12LRRK2DLK1MAP3K13ADK
SCHEMBL22425499 0.72 LRRK2 (0.50) MAP3K12LRRK2DLK1MAP3K13ADK

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-2023204642-A1 PROTEIN KINASE INHIBITOR AND USE THEREOF (주)메디톡스 2023-10-26 — — WO disclosed
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