SCHEMBL28343115

SCHEMBL28343115

Cc1ccoc1-c1ccnc(NC(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
LCK P06239 2/20 0.33
CDC7 O00311 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
GSK3B P49841 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CDK4 P11802 4/20 0.33
CDK2 P24941 3/20 0.33
PLK1 P53350 2/20 0.33
ADRA1D P25100 1/20 0.32

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
SCHEMBL30209585 0.87
SCHEMBL21524072 0.75 KDM4E (0.41) MAPK14CDK2ADRA1DADRA1AADRA1B
SCHEMBL28345887 0.74 IGF1R (0.35) CDK4CCND1CCND2CCND3
SCHEMBL28345416 0.74 PIK3CD (0.36) PIK3CDPIK3C3MAPK13MAPK12MAPK11
SCHEMBL30209592 0.74 PIK3CD (0.36) PIK3CDPIK3C3MAPK13MAPK12MAPK11
SCHEMBL12410773 0.71 NPSR1 (0.45) NPC1SMN1; SMN2LMNAMAPT
SCHEMBL28345920 0.70 LMNA (0.43) MAPK13MAPK12MAPK11MAPK14CDK2
SCHEMBL30209586 0.70 LMNA (0.43) MAPK13MAPK12MAPK11MAPK14CDK2
SCHEMBL23244457 0.69 PLK1 (0.43) MAPK13PIM1GSK3BCDK2PLK1
SCHEMBL28822645 0.68 KDM4E (0.35) ADRA1DADRA1AADRA1BNPC1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110684020-B 2-aminopyrimidine derivatives, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-01-20 CN disclosed
CN-110684020-A 2-aminopyrimidine derivatives, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2020-01-14 CN disclosed