SCHEMBL22858721

SCHEMBL22858721

Cc1cc(-c2cnc3c(n2)c(-c2ccc(C(=O)N(C)CC(C)(C)O)cc2)cn3SI)cc2c1CCN(C)C2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.51
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KRAS P01116 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
SCHEMBL22858995 0.92 MAP4K1 (0.52) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858695 0.91 MAP4K1 (0.51) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL28706959 0.85 MAP4K1 (0.47) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608953 0.85 MAP4K1 (0.47) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858799 0.84 MAP4K1 (0.57) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22859007 0.84 MAP4K1 (0.49) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608985 0.84 MAP4K1 (0.72) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858774 0.84 MAP4K1 (0.72) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858875 0.81 MAP4K1 (0.62) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22859187 0.79 MAP4K1 (0.52) 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-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 — — WO disclosed
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