SCHEMBL22859004

SCHEMBL22859004

Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN(CCC(=O)N4CCN(C)CC4)CC5)nc23)ccc1C(=O)N(C)C

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 8/20 0.78
▸ JAK2 O60674 4/20 0.40
▸ JAK1 P23458 4/20 0.40
▸ TYK2 P29597 4/20 0.40
▸ JAK3 P52333 4/20 0.40
▸ TNIK Q9UKE5 1/20 0.39
▸ MAP3K11 Q16584 4/20 0.36
▸ CAMKK2 Q96RR4 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PIK3CG P48736 1/20 0.33

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
SCHEMBL29608359 1.00 MAP4K1 (0.78) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858795 0.92 MAP4K1 (0.80) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29609110 0.92 MAP4K1 (0.80) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608148 0.92 MAP4K1 (0.80) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22859015 0.92 MAP4K1 (0.80) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22859048 0.91 MAP4K1 (0.78) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608816 0.91 MAP4K1 (0.74) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858727 0.91 MAP4K1 (0.74) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858716 0.90 MAP4K1 (0.77) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29609233 0.90 MAP4K1 (0.77) 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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