SCHEMBL24954367

SCHEMBL24954367

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C)cc4)c3n2)cc2c1CN(CCC(=O)OC(C)(C)C)CC2

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 9/20 0.58
▸ TNIK Q9UKE5 1/20 0.38
▸ AXL P30530 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ MAP3K11 Q16584 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ GPR119 Q8TDV5 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
SCHEMBL24954369 0.94 MAP4K1 (0.67) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL30893059 0.94 MAP4K1 (0.67) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL24954322 0.92 MAP4K1 (0.71) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL24954323 0.92 MAP4K1 (0.71) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL30215941 0.90 MAP4K1 (0.62) MAP4K1TNIKAXLMERTKJAK2
SCHEMBL24955669 0.90 MAP4K1 (0.62) MAP4K1TNIKAXLMERTKJAK2
SCHEMBL24954501 0.88 MAP4K1 (0.51) MAP4K1TNIKMAP3K11ABL1
SCHEMBL24955691 0.85 MAP4K1 (0.66) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL30893068 0.85 MAP4K1 (0.66) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL22858921 0.85 MAP4K1 (0.69) MAP4K1TNIKAXLMERTKMAP3K11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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