SCHEMBL26604148

SCHEMBL26604148

CC(=O)N1CCN(c2cc(Cl)nc(Cl)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.52
SMO Q99835 2/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
NCF1 P14598 2/20 0.43
MAP4K4 O95819 1/20 0.42
CLK1 P49759 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CASP6 P55212 1/20 0.41
GFER P55789 1/20 0.41
PIK3CA P42336 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL21193554 0.86 GBA1 (0.66) GBA1SMOCKS1BSKP1SKP2
SCHEMBL18153268 0.86 HRH4 (0.41) GBA1HRH4LMNAMAPTKMT2A
SCHEMBL19691058 0.84 GBA1 (0.52) GBA1SMOCKS1BSKP1SKP2
SCHEMBL16505690 0.82 LMNA (0.51) GBA1SMOCKS1BSKP1SKP2
SCHEMBL12069783 0.82 GBA1 (0.48) GBA1SMOCKS1BSKP1SKP2
SCHEMBL19687408 0.80 GBA1 (0.46) GBA1SMOCKS1BSKP1SKP2
SCHEMBL3991539 0.80 CKS1B (0.50) CKS1BSKP1SKP2HRH4MAP4K4
SCHEMBL19690964 0.79 CASP6 (0.51) GBA1NCF1CLK1TP53MAPT
SCHEMBL2336863 0.78 HRH4 (0.66) HRH4
SCHEMBL14276922 0.78 SMO (0.50) GBA1SMOCKS1BSKP1SKP2

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