SCHEMBL30215928

SCHEMBL30215928

Cc1ccc(S(=O)(=O)n2cc(-c3ccc(C(=O)N(C)C)c(C)c3)c3nc(-c4cc(C)c5c(c4)CCN(C(=O)OC(C)(C)C)C5)cnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.46
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ GPR119 Q8TDV5 10/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ MAP3K5 Q99683 1/20 0.32

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
SCHEMBL29216551 1.00 MAP4K1 (0.46) MAP4K1NR1H2NR1H3ATRKIT
SCHEMBL30893064 0.94 MAP4K1 (0.39) MAP4K1ATRKITHTR6PTPN11
SCHEMBL29216559 0.94 MAP4K1 (0.39) MAP4K1ATRKITHTR6PTPN11
SCHEMBL30215951 0.94 MAP4K1 (0.39) MAP4K1ATRKITHTR6PTPN11
SCHEMBL30893067 0.87 MAP4K1 (0.45) MAP4K1NR1H2NR1H3GPR119JAK2
SCHEMBL30893070 0.83 MAP4K1 (0.40) MAP4K1ATRPTPN11GPR119JAK2
SCHEMBL29216553 0.82 PTPN11 (0.45) MAP4K1NR1H2NR1H3KITHTR6
SCHEMBL30893060 0.82 PTPN11 (0.45) MAP4K1NR1H2NR1H3KITHTR6
SCHEMBL30215942 0.82 PTPN11 (0.45) MAP4K1NR1H2NR1H3KITHTR6
SCHEMBL29608713 0.82 MAP4K1 (0.49) MAP4K1ATRHTR6PTPN11JAK2

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
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