SCHEMBL24458076

SCHEMBL24458076

Cc1cc(C2CC2)cnc1NC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.40
CHRM3 P20309 5/20 0.39
PDE4A P27815 5/20 0.39
PDE4B Q07343 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 5/20 0.39
SSTR4 P31391 1/20 0.37
PDE10A Q9Y233 1/20 0.36
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM4 P08173 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL24458063 0.82 KDM4E (0.36) SSTR4KDM4EHRH1HRH4HRH3
SCHEMBL27102681 0.79 IRAK4 (0.38) IRAK4CHRM3PDE4APDE4BPDE4C
SCHEMBL24457915 0.77 PIK3CA (0.46) IRAK4SSTR4CYP3A4ALOX15HSD17B10
SCHEMBL12240425 0.74 KDM4E (0.40) SSTR4TDP1KDM4EHRH1HRH4
SCHEMBL15658853 0.71 MAPK1 (0.50) IRAK4PDE10ALRRK2BRD4ATAD2
SCHEMBL16877078 0.71 KDM4E (0.45) SSTR4TDP1KDM4EHRH1HRH4
SCHEMBL20135638 0.70 BRD4 (0.50) CYP3A4HSD17B10CYP1A2CYP2D6BRD4
SCHEMBL22877217 0.69 GABBR2 (0.53) IRAK4
SCHEMBL16877079 0.68 PDGFRB (0.44) SSTR4KDM4E
SCHEMBL25932818 0.68 MAPK1 (0.50) IRAK4PDE10ALRRK2BRD4ATAD2

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-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 WO disclosed