SCHEMBL28743587

SCHEMBL28743587

CCCCCCCCCc1nc(-c2ccncc2)c(N)c(=O)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
GSK3B P49841 4/20 0.43
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DHFR P00374 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
SPNS2 Q8IVW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AURKA O14965 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL27522095 1.00 TSHR (0.43) TSHRLMNAGSK3BATMSMN1; SMN2
SCHEMBL27537970 1.00 TSHR (0.43) TSHRLMNAGSK3BATMSMN1; SMN2
SCHEMBL27502619 1.00 TSHR (0.43) TSHRLMNAGSK3BATMSMN1; SMN2
SCHEMBL27567557 0.95 GSK3B (0.44) TSHRLMNAGSK3BATMSMN1; SMN2
SCHEMBL5741934 0.73 AURKA (0.42) LMNASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL5740643 0.73 AURKA (0.42) GSK3BALDH1A1KDM4EHPGDAURKA
SCHEMBL6936912 0.69 MAPK14 (0.54) GSK3B
Iodomethane SCHEMBL7238011 0.68 MAPK14 (0.53) GSK3B
SCHEMBL6364470 0.66 ADORA2A (0.42) LMNAGSK3BATMSMN1; SMN2ALDH1A1
SCHEMBL5741788 0.65 MAPK14 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1891220-A Use of 2-amino-3-alkylpyrimidinone derivatives for producing medicaments SANOFI SYNTHELABO (FR) 2007-01-10 CN claimed
CN-1247567-C 2-amino-3-alkylpyrimidinone derivatives as GSK3 beta inhibitors SANOFI AVENTIS (FR) 2006-03-29 CN claimed
CN-1891220-A Use of 2-amino-3-alkylpyrimidinone derivatives for producing medicaments SANOFI SYNTHELABO (FR) 2007-01-10 CN disclosed
CN-1247567-C 2-amino-3-alkylpyrimidinone derivatives as GSK3 beta inhibitors SANOFI AVENTIS (FR) 2006-03-29 CN disclosed