SCHEMBL24955736

SCHEMBL24955736

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)CC(C)O)cc4)c3c2)cc2c1CN(CCC(=O)O)CC2

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.63
▸ PIK3CG P48736 11/20 0.47
▸ MAP3K11 Q16584 2/20 0.44
▸ TNIK Q9UKE5 1/20 0.43
▸ CAMKK2 Q96RR4 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
SCHEMBL24955735 1.00 MAP4K1 (0.63) MAP4K1PIK3CGMAP3K11TNIKCAMKK2
SCHEMBL24954376 0.91 MAP4K1 (0.59) MAP4K1PIK3CGMAP3K11TNIK
SCHEMBL24954375 0.91 MAP4K1 (0.59) MAP4K1PIK3CGMAP3K11TNIK
SCHEMBL30215945 0.91 MAP4K1 (0.55) MAP4K1PIK3CGMAP3K11TNIKCAMKK2
SCHEMBL24954318 0.91 MAP4K1 (0.55) MAP4K1PIK3CGMAP3K11TNIKCAMKK2
SCHEMBL24954508 0.89 MAP4K1 (0.76) MAP4K1PIK3CGMAP3K11TNIK
SCHEMBL24954305 0.85 MAP4K1 (0.53) MAP4K1PIK3CGMAP3K11TNIK
SCHEMBL24955654 0.85 MAP4K1 (0.53) MAP4K1PIK3CGMAP3K11TNIK
SCHEMBL30215946 0.85 MAP4K1 (0.53) MAP4K1PIK3CGMAP3K11TNIK
SCHEMBL24954490 0.83 MAP4K1 (0.63) MAP4K1PIK3CGMAP3K11CAMKK2

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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