SCHEMBL6891641

SCHEMBL6891641

CCC(=O)N1CCC(Oc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3[nH]ccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.41
MTOR P42345 3/20 0.41
RPTOR Q8N122 3/20 0.41
MLST8 Q9BVC4 3/20 0.41
JAK1 P23458 1/20 0.40
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
NPM1 P06748 1/20 0.39
CSF1R P07333 1/20 0.39
LYN P07948 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
FGR P09769 1/20 0.39
KIT P10721 1/20 0.39
BCR P11274 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
FGFR2 P21802 1/20 0.39
KIF5B P33176 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL6894519 0.89 MTOR (0.40) PIK3CDMTORRPTORMLST8JAK1
SCHEMBL6890126 0.87 MTOR (0.49) MTORRPTORMLST8JAK1ACACB
SCHEMBL1022445 0.84 RET (0.49) MTORRPTORMLST8ABL1LCK
SCHEMBL6891287 0.78 MTOR (0.48) MTORRPTORMLST8JAK1ACACB
SCHEMBL6891435 0.76 MTOR (0.44) MTORRPTORMLST8JAK1ACACB
SCHEMBL6894512 0.75 MTOR (0.48) PIK3CDMTORRPTORMLST8JAK1
SCHEMBL16104566 0.75 MTOR (0.49) PIK3CDMTORRPTORMLST8JAK1
SCHEMBL1073541 0.75 MTOR (0.40) PIK3CDMTORRPTORMLST8JAK1
SCHEMBL1023287 0.75 MTOR (0.53) MTORRPTORMLST8JAK1
SCHEMBL18318748 0.74 EPHX2 (0.47) PIK3CDACACBACACAPIK3CAPIK3CB

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-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 WO disclosed