SCHEMBL30215947

SCHEMBL30215947

Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CCN(C(=O)OC(C)(C)C)C5)nc23)ccc1C(=O)N(C)C

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 6/20 0.70
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ MAP3K5 Q99683 3/20 0.36
▸ GPR119 Q8TDV5 2/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ ITK Q08881 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ IKBKE Q14164 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ESR2 Q92731 1/20 0.35

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
SCHEMBL24954299 1.00 MAP4K1 (0.70) MAP4K1NR1H2NR1H3MAP3K5GPR119
SCHEMBL30893063 1.00 MAP4K1 (0.70) MAP4K1NR1H2NR1H3MAP3K5GPR119
SCHEMBL30893059 0.88 MAP4K1 (0.67) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL24954369 0.88 MAP4K1 (0.67) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858850 0.87 MAP4K1 (0.88) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29609216 0.87 MAP4K1 (0.88) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL24955691 0.86 MAP4K1 (0.66) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL30893068 0.86 MAP4K1 (0.66) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL24954419 0.84 MAP4K1 (0.58) MAP4K1MAP3K5GPR119ROCK2
SCHEMBL30215935 0.84 MAP4K1 (0.58) MAP4K1MAP3K5GPR119ROCK2

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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