SCHEMBL22858879

SCHEMBL22858879

Cc1cc(-c2cnc3c(n2)c(-c2ccc(C(=O)N4CCOCC4)cc2)cn3C)cc2c1CCN(C)C2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.50
▸ JAK2 O60674 5/20 0.46
▸ JAK1 P23458 5/20 0.46
▸ TYK2 P29597 5/20 0.46
▸ JAK3 P52333 5/20 0.46
▸ HPGD P15428 2/20 0.42
▸ TAF1 P21675 1/20 0.39
▸ LRRK2 Q5S007 2/20 0.39
▸ TTK P33981 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MAPK10 P53779 1/20 0.38
▸ ATR Q13535 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ BRD9 Q9H8M2 1/20 0.37

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
SCHEMBL22858994 0.85 MAP4K1 (0.69) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22859007 0.83 MAP4K1 (0.49) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858740 0.79 MAP4K1 (0.52) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858770 0.79 MAP4K1 (0.75) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608468 0.78 MAP4K1 (0.43) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858763 0.78 MAP4K1 (0.72) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL23021877 0.77 MAP4K1 (0.45) MAP4K1LRRK2PIK3CAKCNH2ATR
SCHEMBL22858993 0.75 MAP4K1 (0.66) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29609616 0.75 MAP4K1 (0.66) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858802 0.74 MAP4K1 (0.49) 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