SCHEMBL2704383

SCHEMBL2704383

CNCc1c(C2CCSC(O)(O)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.38
RPTOR Q8N122 3/20 0.38
MLST8 Q9BVC4 3/20 0.38
CHEK1 O14757 6/20 0.36
CCNA2 P20248 6/20 0.36
CDK2 P24941 6/20 0.36
CCNA1 P78396 6/20 0.36
NPC1 O15118 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
RET P07949 4/20 0.35
KIF5B P33176 4/20 0.35
KDR P35968 4/20 0.35
ETV6 P41212 4/20 0.35
CCDC6 Q16204 4/20 0.35
KCNH2 Q12809 3/20 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
SCHEMBL2685922 0.83 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL29182 0.81 CHEK1 (0.52) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL2680221 0.77 MTOR (0.40) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7882605 0.77 CHEK1 (0.44) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL2147852 0.73 CHEK1 (0.48) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL17399421 0.73 CHEK1 (0.48) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL14246049 0.73 CHEK1 (0.48) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL14298572 0.73 CHEK1 (0.48) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7883621 0.72 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL2695309 0.72 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2

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
WO-2012027240-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO disclosed