SCHEMBL26319663

SCHEMBL26319663

CC(C)NC(=O)C(C)Nc1ncncn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.34
GRM5 P41594 2/20 0.34
CHRM2 P08172 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ACACB O00763 3/20 0.33
VNN1 O95497 1/20 0.33
MAPT P10636 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
XDH P47989 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MLYCD O95822 1/20 0.32
FDPS P14324 1/20 0.31
EPHX2 P34913 2/20 0.31
PSMB11 A5LHX3 1/20 0.31
PSMA7 O14818 1/20 0.31
PSMB1 P20618 1/20 0.31
PSMA1 P25786 1/20 0.31

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
SCHEMBL3423880 0.75 GAA (0.41) HCAR3ACACBVNN1MAPK1
SCHEMBL5032710 0.71 VNN1 (0.32) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL5999472 0.67 KCNH3 (0.39) HCAR3ACACB
SCHEMBL5940469 0.67 MAPK8 (0.48) MAPT
SCHEMBL5935163 0.66 HSP90AA1 (0.33) EPHX2
SCHEMBL23976416 0.64 CA12 (0.39) MAPK1
SCHEMBL13050528 0.64 CA12 (0.39) MAPK1
SCHEMBL22525115 0.64 CA12 (0.39) MAPK1
SCHEMBL9948710 0.63 L3MBTL1 (0.50) EPHX2
SCHEMBL13127917 0.63 HTT (0.46) HDAC3HDAC1HDAC2HDAC6MAPK1

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-2023164057-A1 DI-CYCLOPROPYL BASED IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-08-31 WO disclosed