SCHEMBL24954499

SCHEMBL24954499

Cc1cc(-c2cnc3c(c2)c(-c2ccc(C(=O)N(C)C)cc2)cn3SI)cc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 13/20 0.37
▸ MAP4K1 Q92918 2/20 0.36
▸ NR1H2 P55055 2/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ ESR2 Q92731 1/20 0.34
▸ CYP11B2 P19099 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
SCHEMBL24954317 0.87 MAP4K1 (0.41) GPR119MAP4K1ESR2
SCHEMBL30215942 0.84 PTPN11 (0.45) GPR119MAP4K1NR1H2NR1H3USP30
SCHEMBL29216553 0.84 PTPN11 (0.45) GPR119MAP4K1NR1H2NR1H3USP30
SCHEMBL30893060 0.84 PTPN11 (0.45) GPR119MAP4K1NR1H2NR1H3USP30
SCHEMBL24954373 0.81 MAP4K1 (0.51) MAP4K1CYP11B2
SCHEMBL24954494 0.76 MAP4K1 (0.43) GPR119MAP4K1
SCHEMBL30893064 0.74 MAP4K1 (0.39) GPR119MAP4K1
SCHEMBL30215951 0.74 MAP4K1 (0.39) GPR119MAP4K1
SCHEMBL29216559 0.74 MAP4K1 (0.39) GPR119MAP4K1
SCHEMBL30893066 0.73 PTPN11 (0.42) MAP4K1CYP11B2

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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