SCHEMBL26319653

SCHEMBL26319653

CC(C)NC(=O)C(C)Nc1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
FDPS P14324 1/20 0.35
RIPK1 Q13546 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL26319663 0.83 HCAR3 (0.34) MAPK1FDPS
SCHEMBL13127917 0.80 HTT (0.46) FFAR2MAPK1HTTLMNAALDH1A1
SCHEMBL1225938 0.80 MEN1 (0.42) FFAR2MAPK1HTTLMNAALDH1A1
SCHEMBL1225937 0.80 MEN1 (0.42) FFAR2MAPK1HTTLMNAALDH1A1
SCHEMBL26319671 0.78 MAPK1 (0.41) FFAR2MAPK1HTTLMNAALDH1A1
SCHEMBL19243702 0.77 ALDH1A1 (0.45) FFAR2MAPK1HTTLMNAALDH1A1
Isaxonine SCHEMBL2846192 0.74 MAPK1 (0.48) FFAR2MAPK1HTTLMNAALDH1A1
Isaxonine SCHEMBL1270289 0.74 KCNH3 (0.43) MAPK1HTTLMNAALDH1A1MEN1
Isaxonine SCHEMBL4537710 0.72 FDPS (0.42) FFAR2MAPK1HTTLMNANPC1
Isaxonine SCHEMBL9030532 0.72 PKM (0.40) FFAR2MAPK1HTTLMNAALDH1A1

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