SCHEMBL22859007

SCHEMBL22859007

Cc1cc(-c2cnc3c(n2)c(-c2ccc(C(=O)N4CCCC4)cc2)cn3SI)cc2c1CCN(C)C2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.49
▸ HPGD P15428 15/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL22859187 0.85 MAP4K1 (0.52) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858995 0.85 MAP4K1 (0.52) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858695 0.85 MAP4K1 (0.51) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858721 0.84 MAP4K1 (0.51) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858879 0.83 MAP4K1 (0.50) MAP4K1HPGDKCNH2ATRJAK2
SCHEMBL22858802 0.83 MAP4K1 (0.49) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858763 0.81 MAP4K1 (0.72) MAP4K1HPGDKCNH2ATRJAK2
SCHEMBL22858799 0.81 MAP4K1 (0.57) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858996 0.80 MAP4K1 (0.49) MAP4K1ATRJAK2JAK1TYK2
SCHEMBL22859178 0.80 MAP4K1 (0.46) MAP4K1

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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