SCHEMBL28631850

SCHEMBL28631850

COc1ccc(CNc2nccc3cc(-c4c(C)cccc4F)c(C#N)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 5/20 0.43
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43
DYRK1A Q13627 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
EGFR P00533 1/20 0.39
POLB P06746 1/20 0.39
NR2F2 P24468 1/20 0.39
VNN1 O95497 1/20 0.39
MAPK14 Q16539 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL29929742 1.00 WNT3A (0.43) WNT3AJAK2TYK2DYRK1ACLK4
SCHEMBL28652017 0.82 WNT3A (0.53) WNT3AJAK2TYK2DYRK1ACLK4
SCHEMBL15820514 0.80 NPC1 (0.47) WNT3ADYRK1ACLK4KDM4EALDH1A1
SCHEMBL23529687 0.77 MEN1 (0.54) WNT3ADYRK1ACLK4KDM4EMAPT
SCHEMBL29844533 0.77 MEN1 (0.54) WNT3ADYRK1ACLK4KDM4EMAPT
SCHEMBL29929873 0.77 PDE5A (0.50) WNT3AJAK2TYK2DYRK1ACLK4
SCHEMBL28925081 0.76 MAP4K1 (0.43) DYRK1AALDH1A1MAPK1HSD17B10
SCHEMBL28635707 0.75 MAP4K1 (0.43) TYK2ALDH1A1MAPK14
SCHEMBL18300154 0.71 HTT (0.52) WNT3ADYRK1ACLK4MAPTL3MBTL1
SCHEMBL1715696 0.70 NPC1 (0.58) DYRK1ACLK4KDM4EMAPTL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115244050-B Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2024-06-21 CN disclosed
CN-115244050-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2022-10-25 CN disclosed
CN-113336747-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2021-09-03 CN disclosed