SCHEMBL29675688

SCHEMBL29675688

CCC(=O)N[C@H](CO)c1ccnc(N2CCN(C)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
HRH4 Q9H3N8 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
DYRK1A Q13627 7/20 0.40
WNT1 P04628 6/20 0.40
GSK3B P49841 5/20 0.40
CLK2 P49760 3/20 0.40
CLK3 P49761 3/20 0.40
ROCK2 O75116 1/20 0.38
DYRK3 O43781 1/20 0.38
CSNK1E P49674 1/20 0.38
CLK1 P49759 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
DYRK2 Q92630 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK4 Q9NR20 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PANK3 Q9H999 1/20 0.37

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
SCHEMBL29676371 0.91 CTSA (0.44) MAPK1HRH4NPC1RAB9ADYRK1A
SCHEMBL29676029 0.88 PIK3CA (0.50) MAPK1RAB9ADYRK1AWNT1GSK3B
SCHEMBL29676386 0.86 HRH4 (0.44) MAPK1HRH4NPC1RAB9APANK3
SCHEMBL29675867 0.79 MEN1 (0.45) MAPK1NPC1RAB9AROCK2
SCHEMBL29676238 0.78 MAPK1 (0.44) MAPK1HRH4NPC1RAB9ADYRK1A
SCHEMBL23343788 0.76 MAPK1 (0.45) MAPK1HRH4NPC1RAB9ACDK5
SCHEMBL29675755 0.74 L3MBTL1 (0.38) MAPK1NPC1RAB9AGSK3BROCK2
SCHEMBL29676253 0.74 MAPK1 (0.44) MAPK1HRH4NPC1RAB9AHRH3
SCHEMBL29675667 0.74 NPC1 (0.43) MAPK1HRH4NPC1RAB9AHRH3
SCHEMBL23343854 0.74 MAPK1 (0.40) MAPK1NPC1RAB9A

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
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN claimed