SCHEMBL20042825

SCHEMBL20042825

CC(C)(C)OC(=O)N1Cc2nc(-c3cccnc3)nc(N3CCC3)c2C1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.61
MTOR P42345 3/20 0.53
KIT P10721 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
CFTR P13569 3/20 0.45
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
PDE10A Q9Y233 6/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL20042814 0.81 CFTR (0.52) GBA1CFTRPDE10AUSP2ALDH1A1
SCHEMBL19358268 0.80 MTOR (0.59) GBA1MTORGPR119PDE10AALDH1A1
SCHEMBL1261149 0.78 GBA1 (0.51) GBA1MTORKITGPR119PDE10A
SCHEMBL416075 0.78 PDE10A (0.52) GBA1GPR119PDE10AMAPT
SCHEMBL20042972 0.77 MTOR (0.47) GBA1MTORGPR119CKS1BSKP1
SCHEMBL20042670 0.77 MTOR (0.47) MTORGPR119CKS1BSKP1SKP2
SCHEMBL31614795 0.77 MTOR (0.47) MTORGPR119CKS1BSKP1SKP2
SCHEMBL20042815 0.76 MTOR (0.46) GBA1MTORGPR119CKS1BSKP1
SCHEMBL31516224 0.76 MTOR (0.46) GBA1MTORGPR119CKS1BSKP1
SCHEMBL18353954 0.76 GBA1 (1.00) GBA1KITCKS1BSKP1SKP2

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-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed