SCHEMBL14294394

SCHEMBL14294394

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 2/20 0.41
▸ RPS6KA3 P51812 3/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ RPS6KA6 Q9UK32 1/20 0.39
▸ AURKA O14965 4/20 0.38
▸ APP P05067 1/20 0.38
▸ TNK2 Q07912 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ CGAS Q8N884 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SYK P43405 2/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ EIF2AK2 P19525 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 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
SCHEMBL14300476 0.90 TNIK (0.43) TNIKRPS6KA3GRM4RPS6KA6AURKA
SCHEMBL14293828 0.79 RAB9A (0.44) RPS6KA6TNK2SYK
SCHEMBL14293956 0.76 RAB9A (0.53) RPS6KA6MAPT
SCHEMBL14300020 0.74 TXN (0.54) TNIKGRM4APPKDM4EMAPT
SCHEMBL14294396 0.74 APP (0.56) TNIKAPPMAPT
SCHEMBL14300477 0.73 GALR1 (0.49) RPS6KA3RPS6KA6TNK2CDK1CDK4
SCHEMBL655309 0.71 SYK (0.70) RPS6KA3AURKASYKCDK1CDK2
SCHEMBL13578882 0.69 EGFR (0.42) TNIKGRM4AURKAKDM4EMAPT
SCHEMBL4839000 0.67 CTSL (0.56) APPCDK1CDK4CCNB1CCND1
SCHEMBL13632608 0.67 GRM4 (0.46) TNIKGRM4KDM4EMAPT

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-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 — — 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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