SCHEMBL22859050

SCHEMBL22859050

Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN(CCC(=O)NC4CCOC4)CC5)nc23)ccc1C(=O)N(C)C

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 7/20 0.67
▸ JAK2 O60674 4/20 0.35
▸ JAK1 P23458 4/20 0.35
▸ TYK2 P29597 4/20 0.35
▸ JAK3 P52333 4/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ PIK3CG P48736 4/20 0.34
▸ TNIK Q9UKE5 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ CNR1 P21554 1/20 0.32

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
SCHEMBL22858785 1.00 MAP4K1 (0.67) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608959 1.00 MAP4K1 (0.67) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29607995 0.97 MAP4K1 (0.67) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22859046 0.97 MAP4K1 (0.67) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858796 0.96 MAP4K1 (0.69) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608979 0.96 MAP4K1 (0.69) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858852 0.94 MAP4K1 (0.65) MAP4K1MAPK1PIK3CGTNIKABL1
SCHEMBL22858791 0.93 MAP4K1 (0.73) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858937 0.92 MAP4K1 (0.72) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858717 0.91 MAP4K1 (0.71) 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
Send feedback