SCHEMBL30215942

SCHEMBL30215942

Cc1ccc(S(=O)(=O)n2cc(-c3ccc(C(=O)N(C)C)cc3)c3cc(-c4cc(C)c5c(c4)CCN(C(=O)OC(C)(C)C)C5)cnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.45
▸ HTR6 P50406 1/20 0.37
▸ GPR119 Q8TDV5 13/20 0.35
▸ MAP4K1 Q92918 2/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ USP30 Q70CQ3 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
SCHEMBL30893060 1.00 PTPN11 (0.45) PTPN11HTR6GPR119MAP4K1NR1H2
SCHEMBL29216553 1.00 PTPN11 (0.45) PTPN11HTR6GPR119MAP4K1NR1H2
SCHEMBL30893066 0.89 PTPN11 (0.42) PTPN11MAP4K1
SCHEMBL29216559 0.88 MAP4K1 (0.39) PTPN11HTR6GPR119MAP4K1KIT
SCHEMBL30215951 0.88 MAP4K1 (0.39) PTPN11HTR6GPR119MAP4K1KIT
SCHEMBL30893064 0.88 MAP4K1 (0.39) PTPN11HTR6GPR119MAP4K1KIT
SCHEMBL24954499 0.84 GPR119 (0.37) GPR119MAP4K1NR1H2NR1H3USP30
SCHEMBL29216551 0.82 MAP4K1 (0.46) PTPN11HTR6GPR119MAP4K1NR1H2
SCHEMBL30215928 0.82 MAP4K1 (0.46) PTPN11HTR6GPR119MAP4K1NR1H2
Hydrochloric Acid SCHEMBL30215944 0.82 PTPN11 (0.48) PTPN11HTR6MAP4K1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4377318-A1 PYRROLO [2, 3-B] PYRAZINE-BASED BIFUNCTIONAL COMPOUNDS AS HPK1 DEGRADERS AND THE USE THEREOF BeiGene, Ltd. (KY) 2024-06-05 — — EP disclosed
CN-118043324-A Pyrrolo [2,3-b ] pyrazine-based bifunctional compounds as HPK1 degradants and uses thereof 百济神州有限公司 2024-05-14 — — CN disclosed
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
Send feedback