SCHEMBL26604152

SCHEMBL26604152

OC1CCC(Nc2cc(Cl)nc(NC3CCC(O)CC3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.50
AURKB Q96GD4 6/20 0.50
PIM1 P11309 5/20 0.50
ITK Q08881 5/20 0.50
MAPK8 P45983 4/20 0.50
CDC7 O00311 4/20 0.50
DAPK3 O43293 4/20 0.50
PRKD3 O94806 4/20 0.50
PAK4 O96013 4/20 0.50
PRKACA P17612 4/20 0.50
CDK2 P24941 4/20 0.50
FLT3 P36888 4/20 0.50
CDK8 P49336 4/20 0.50
CLK2 P49760 4/20 0.50
GSK3B P49841 4/20 0.50
PRKX P51817 4/20 0.50
JAK3 P52333 4/20 0.50
CDK5 Q00535 4/20 0.50
MAP4K2 Q12851 4/20 0.50
STK3 Q13188 4/20 0.50

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
SCHEMBL11653016 0.92 MEN1 (0.46) LCKAURKBPIM1ITKMAPK8
SCHEMBL26604133 0.90 CDC7 (0.54) LCKAURKBPIM1ITKMAPK8
SCHEMBL26604125 0.89 LCK (0.47) LCKAURKBPIM1ITKMAPK8
SCHEMBL9083981 0.85 MEN1 (0.56) AURKBITKMAPK8CDC7DAPK3
SCHEMBL26604140 0.82 MCHR1 (0.50) LCKAURKBPIM1ITKMAPK8
SCHEMBL26604151 0.80 MERTK (0.44) LCKAURKBPIM1ITKMAPK8
SCHEMBL935044 0.79 CDC7 (0.46) LCKAURKBPIM1ITKMAPK8
SCHEMBL30605621 0.78 CCNT1 (0.47) LCKAURKBPIM1ITKMAPK8
SCHEMBL26604070 0.77 EGFR (0.51) LCKAURKBPIM1ITKMAPK8
SCHEMBL3451258 0.77 CDC7 (0.58) LCKAURKBPIM1ITKMAPK8

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-2023204642-A1 PROTEIN KINASE INHIBITOR AND USE THEREOF (주)메디톡스 2023-10-26 WO disclosed