SCHEMBL29989296

SCHEMBL29989296

CN1CCc2cc(Nc3ncc(C(F)(F)F)c(NCCCN4CCCC4)n3)ccc2C1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.63
FLT3 P36888 18/20 0.63
KIT P10721 4/20 0.63
AURKA O14965 1/20 0.63
RPS6KA5 O75582 1/20 0.63
RPS6KA4 O75676 1/20 0.63
RPS6KB1 P23443 1/20 0.63
CDK2 P24941 1/20 0.63
RPS6KA3 P51812 1/20 0.63
RPS6KA2 Q15349 1/20 0.63
RPS6KA1 Q15418 1/20 0.63
IRAK4 Q9NWZ3 1/20 0.63
RPS6KB2 Q9UBS0 1/20 0.63
RPS6KA6 Q9UK32 1/20 0.63
ULK1 O75385 2/20 0.54
ULK2 Q8IYT8 2/20 0.54

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
SCHEMBL27087858 1.00 CHEK1 (0.63) CHEK1FLT3KITAURKARPS6KA5
SCHEMBL30800585 0.89 CHEK1 (0.61) CHEK1FLT3KITAURKARPS6KA5
SCHEMBL27087791 0.89 CHEK1 (0.61) CHEK1FLT3KITAURKARPS6KA5
SCHEMBL27087847 0.88 CHEK1 (0.62) CHEK1FLT3KITAURKARPS6KA5
SCHEMBL29989342 0.88 CHEK1 (0.62) CHEK1FLT3KITAURKARPS6KA5
SCHEMBL27403132 0.87 CHEK1 (0.58) CHEK1FLT3KITAURKARPS6KA5
SCHEMBL27403129 0.86 CHEK1 (0.58) CHEK1FLT3KITAURKARPS6KA5
SCHEMBL29989851 0.84 ULK1 (0.73) CHEK1FLT3KITAURKARPS6KA5
SCHEMBL27087849 0.84 ULK1 (0.73) CHEK1FLT3KITAURKARPS6KA5
SCHEMBL23764811 0.83 PTK2 (0.55) CHEK1FLT3KITAURKARPS6KA5

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
EP-4320121-A2 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS ULK1/2 INHIBITORS AND THEIR USE THEREOF LifeArc (GB) 2024-02-14 EP disclosed
WO-2022214869-A2 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2022-10-13 WO disclosed