SCHEMBL23022112

SCHEMBL23022112

Cc1cc(-c2cnc(N)c(/C(C=N)=C/N)n2)cc2c1CCN(C)C2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 3/20 0.44
▸ PIK3CD O00329 1/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ CCNE2 O96020 5/20 0.34
▸ CCNE1 P24864 5/20 0.34
▸ CDK2 P24941 5/20 0.34
▸ GSK3B P49841 5/20 0.34
▸ ATR Q13535 4/20 0.33
▸ ROCK2 O75116 2/20 0.31
▸ ROCK1 Q13464 2/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31

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
SCHEMBL23021877 0.79 MAP4K1 (0.45) MAP4K1PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL23022070 0.78 MAP4K1 (0.48) MAP4K1PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL30378197 0.78 MAP4K1 (0.48) MAP4K1PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL29507113 0.78 MAP4K1 (0.48) MAP4K1PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL23022180 0.78 MAP4K1 (0.46) MAP4K1PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL23022177 0.77 ATR (0.54) MAP4K1CCNE2CCNE1CDK2GSK3B
SCHEMBL29507268 0.77 ATR (0.54) MAP4K1CCNE2CCNE1CDK2GSK3B
SCHEMBL23022058 0.74 GSK3B (0.49) MAP4K1CCNE2CCNE1CDK2GSK3B
SCHEMBL23021831 0.74 ATR (0.49) MAP4K1PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL23021917 0.74 GSK3B (0.48) MAP4K1CCNE2CCNE1CDK2GSK3B

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-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 — — WO disclosed
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