SCHEMBL14300476

SCHEMBL14300476

Cc1nc(C)nc(Nc2ccc(O)c(F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 1/20 0.43
▸ APP P05067 1/20 0.42
▸ AURKA O14965 6/20 0.42
▸ RPS6KA6 Q9UK32 1/20 0.42
▸ RPS6KA3 P51812 3/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ GRM4 Q14833 1/20 0.41
▸ TNK2 Q07912 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SYK P43405 2/20 0.40
▸ MAP4K4 O95819 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ HIPK2 Q9H2X6 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL14294394 0.90 TNIK (0.41) TNIKAPPAURKARPS6KA6RPS6KA3
SCHEMBL14293828 0.85 RAB9A (0.44) RPS6KA6TNK2SYKRAB9A
SCHEMBL14293956 0.82 RAB9A (0.53) RPS6KA6MAPTRAB9A
SCHEMBL14294396 0.80 APP (0.56) TNIKAPPMAPT
SCHEMBL14300020 0.80 TXN (0.54) TNIKAPPGRM4KDM4EMAPT
SCHEMBL14300477 0.79 GALR1 (0.49) RPS6KA6RPS6KA3TNK2CDK2
SCHEMBL655309 0.76 SYK (0.70) AURKARPS6KA3SYKMAP4K4CDK2
SCHEMBL13578882 0.74 EGFR (0.42) TNIKAURKAGRM4KDM4EMAPT
SCHEMBL13632608 0.72 GRM4 (0.46) TNIKGRM4KDM4EMAPTDYRK1A
SCHEMBL14293983 0.70 RAB9A (0.53) APPRAB9A

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
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 — — US disclosed
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 — — US disclosed
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