SCHEMBL6891201

SCHEMBL6891201

[O-][S+]1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c3[nH]ccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.40
RPTOR Q8N122 2/20 0.40
MLST8 Q9BVC4 2/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PIK3CA P42336 3/20 0.35
PIM1 P11309 4/20 0.33
PIM3 Q86V86 4/20 0.33
PIM2 Q9P1W9 3/20 0.33
PRKCZ Q05513 1/20 0.33
HSP90AA1 P07900 1/20 0.32
AKT1 P31749 2/20 0.32
NISCH Q9Y2I1 1/20 0.31
CYP2A6 P11509 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
PFKFB3 Q16875 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
CHEK1 O14757 1/20 0.31
CCNA2 P20248 1/20 0.31

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
SCHEMBL6893094 0.86 MTOR (0.43) MTORRPTORMLST8PDGFRBPDGFRA
SCHEMBL6892877 0.80 CHEK1 (0.47) MTORPDGFRBPDGFRAPIK3CAPIM1
SCHEMBL10251181 0.77 MTOR (0.40) MTORRPTORMLST8PIK3CACHEK1
SCHEMBL6892132 0.76 MTOR (0.42) MTORRPTORMLST8
SCHEMBL6891861 0.75 MTOR (0.42) MTORRPTORMLST8PIK3CAHSP90AA1
SCHEMBL10252627 0.75 MTOR (0.39) MTORRPTORMLST8PDGFRBPDGFRA
SCHEMBL6893626 0.72 PDGFRB (0.38) MTORRPTORMLST8PDGFRBPDGFRA
SCHEMBL10251100 0.72 MTOR (0.41) MTORRPTORMLST8PIK3CA
SCHEMBL6892718 0.72 MTOR (0.51) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6890546 0.71 PIK3CA (0.38) MTORRPTORMLST8PDGFRBPDGFRA

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