SCHEMBL24954317

SCHEMBL24954317

Cc1cc(-c2cnc3c(n2)c(-c2ccc(C(=O)N(C)C)cc2)cn3SI)cc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.41
▸ GPR119 Q8TDV5 13/20 0.37
▸ MAP3K5 Q99683 3/20 0.34
▸ ESR2 Q92731 1/20 0.33

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
SCHEMBL24954494 0.88 MAP4K1 (0.43) MAP4K1GPR119
SCHEMBL24954499 0.87 GPR119 (0.37) MAP4K1GPR119ESR2
SCHEMBL30215951 0.85 MAP4K1 (0.39) MAP4K1GPR119
SCHEMBL29216559 0.85 MAP4K1 (0.39) MAP4K1GPR119
SCHEMBL30893064 0.85 MAP4K1 (0.39) MAP4K1GPR119
SCHEMBL24954379 0.82 MAP4K1 (0.43) MAP4K1
SCHEMBL22859043 0.79 MAP4K1 (0.36) MAP4K1
SCHEMBL30215928 0.79 MAP4K1 (0.46) MAP4K1GPR119MAP3K5
SCHEMBL29216551 0.79 MAP4K1 (0.46) MAP4K1GPR119MAP3K5
SCHEMBL22858721 0.78 MAP4K1 (0.51) MAP4K1

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-2023006063-A1 PYRROLO [2, 3-b] PYRAZINE-BASED BIFUNCTIONAL COMPOUNDS AS HPK1 DEGRADERS AND THE USE THEREOF BEIGENE, LTD. (KY) 2023-02-02 — — WO disclosed
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