SCHEMBL24954494

SCHEMBL24954494

Cc1cc(-c2cnc3c(n2)c(-c2ccc(C(=O)N(C)C)cc2)cn3SI)cc2c1CN(CCC(=O)OC(C)(C)C)CC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 3/20 0.43
▸ HTR1A P08908 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ ATR Q13535 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL24954317 0.88 MAP4K1 (0.41) MAP4K1GPR119
SCHEMBL30893070 0.86 MAP4K1 (0.40) MAP4K1HTR1AKCNH2HRH3JAK2
SCHEMBL24954367 0.84 MAP4K1 (0.58) MAP4K1HTR1AKCNH2HRH3JAK2
SCHEMBL22859043 0.81 MAP4K1 (0.36) MAP4K1HTR1AKCNH2HRH3JAK2
SCHEMBL22859064 0.80 MAP4K1 (0.55) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858782 0.80 MAP4K1 (0.55) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22859204 0.79 MAP4K1 (0.52) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858946 0.79 MAP4K1 (0.54) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL24954379 0.79 MAP4K1 (0.43) MAP4K1ATRCYP1A2CYP3A4CYP2D6
SCHEMBL24954369 0.78 MAP4K1 (0.67) MAP4K1JAK2JAK1TYK2JAK3

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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