SCHEMBL8515152

SCHEMBL8515152

CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)ncn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.48
TBK1 Q9UHD2 5/20 0.46
MAP4K4 O95819 1/20 0.46
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
LRRK2 Q5S007 5/20 0.45
ITGB2 P05107 2/20 0.44
ICAM1 P05362 2/20 0.44
ITGAL P20701 2/20 0.44
KIT P10721 1/20 0.43
ADK P55263 1/20 0.42

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
SCHEMBL8512735 0.85 GPR119 (0.48) GPR119TBK1MAP4K4CKS1BSKP1
SCHEMBL2014735 0.85 WNT3A (0.46) GPR119CKS1BSKP1SKP2LRRK2
SCHEMBL2015994 0.84 RARA (0.50) GPR119MAP4K4CKS1BSKP1SKP2
SCHEMBL2015241 0.83 CKS1B (0.49) GPR119MAP4K4CKS1BSKP1SKP2
SCHEMBL2015195 0.82 CKS1B (0.46) GPR119MAP4K4CKS1BSKP1SKP2
SCHEMBL12804909 0.82 PIK3CA (0.48) GPR119MAP4K4CKS1BSKP1SKP2
SCHEMBL3270107 0.82 MAP4K4 (0.50) GPR119TBK1MAP4K4CKS1BSKP1
SCHEMBL3273530 0.82 CKS1B (0.62) GPR119TBK1MAP4K4CKS1BSKP1
SCHEMBL2015814 0.81 ACHE (0.52) GPR119TBK1CKS1BSKP1SKP2
SCHEMBL8513291 0.81 GPR119 (0.52) GPR119TBK1

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-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO disclosed