SCHEMBL29640123

SCHEMBL29640123

CC(C)(C)OC(=O)n1ncc2nc(C(F)(F)F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
EEF2K O00418 1/20 0.40
MAP4K4 O95819 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3B P49841 1/20 0.40
PRKX P51817 1/20 0.40
NEK4 P51957 1/20 0.40
PRKG2 Q13237 1/20 0.40
PKN2 Q16513 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
AURKB Q96GD4 1/20 0.40
PBK Q96KB5 1/20 0.40
SLK Q9H2G2 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MAP3K20 Q9NYL2 1/20 0.40
EGFR P00533 1/20 0.37
ITK Q08881 1/20 0.37
MAP2K4 P45985 1/20 0.37
ELANE P08246 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
SCHEMBL14299250 0.82 CHEK1 (0.47) TAOK1CLK4IDH1PDE10ATP53
SCHEMBL29626895 0.82 CHEK1 (0.47) TAOK1CLK4IDH1PDE10ATP53
SCHEMBL29510641 0.81 ROCK2 (0.39) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL21964510 0.81 ROCK2 (0.39) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL31609633 0.81 ELANE (0.41) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL24552717 0.81 ELANE (0.41) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL29626763 0.80 TP53 (0.36) TAOK1CLK4ELANEHDAC4TP53
SCHEMBL29627963 0.78 GABRG2 (0.39) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL21961591 0.77 ROCK2 (0.41) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL30991776 0.77 ROCK2 (0.39) ROCK2ROCK1EEF2KMAP4K4CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 CN disclosed