SCHEMBL24954490

SCHEMBL24954490

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C[C@H](C)O)cc4)c3c2)cc2c1CNCC2

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.63
▸ PIK3CG P48736 8/20 0.46
▸ CAMKK2 Q96RR4 3/20 0.42
▸ SGK1 O00141 3/20 0.42
▸ AXL P30530 2/20 0.41
▸ MAP3K11 Q16584 1/20 0.41
▸ DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL24954492 1.00 MAP4K1 (0.63) MAP4K1PIK3CGCAMKK2SGK1AXL
Hydrochloric Acid SCHEMBL29216546 0.99 MAP4K1 (0.62) MAP4K1PIK3CGCAMKK2SGK1AXL
Hydrochloric Acid SCHEMBL30215923 0.99 MAP4K1 (0.62) MAP4K1PIK3CGCAMKK2SGK1AXL
Hydrochloric Acid SCHEMBL29216545 0.99 MAP4K1 (0.62) MAP4K1PIK3CGCAMKK2SGK1AXL
SCHEMBL24954312 0.86 MAP4K1 (0.68) MAP4K1PIK3CGDYRK1B
SCHEMBL24954311 0.86 MAP4K1 (0.68) MAP4K1PIK3CGDYRK1B
Hydrochloric Acid SCHEMBL29216544 0.86 MAP4K1 (0.67) MAP4K1PIK3CGDYRK1B
Hydrochloric Acid SCHEMBL30215925 0.86 MAP4K1 (0.67) MAP4K1PIK3CGDYRK1B
Hydrochloric Acid SCHEMBL29216543 0.86 MAP4K1 (0.67) MAP4K1PIK3CGDYRK1B
SCHEMBL24955735 0.83 MAP4K1 (0.63) MAP4K1PIK3CGCAMKK2MAP3K11

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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