SCHEMBL6890126

SCHEMBL6890126

CCC(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3[nH]ccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.49
RPTOR Q8N122 4/20 0.49
MLST8 Q9BVC4 4/20 0.49
JAK1 P23458 4/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
JAK2 O60674 3/20 0.37
JAK3 P52333 3/20 0.37
CHEK1 O14757 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
GHSR Q92847 1/20 0.36
HTR2B P41595 2/20 0.36
TYK2 P29597 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RIPK1 Q13546 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
SCHEMBL6891287 0.91 MTOR (0.48) MTORRPTORMLST8JAK1ACACB
SCHEMBL6894512 0.88 MTOR (0.48) MTORRPTORMLST8JAK1JAK2
SCHEMBL6893589 0.87 MTOR (0.47) MTORRPTORMLST8JAK1JAK2
SCHEMBL6891641 0.87 PIK3CD (0.41) MTORRPTORMLST8JAK1ACACB
SCHEMBL1023287 0.87 MTOR (0.53) MTORRPTORMLST8JAK1JAK2
SCHEMBL6891435 0.86 MTOR (0.44) MTORRPTORMLST8JAK1ACACB
SCHEMBL16104566 0.85 MTOR (0.49) MTORRPTORMLST8JAK1ACACB
SCHEMBL16104570 0.84 MTOR (0.51) MTORRPTORMLST8
SCHEMBL1073657 0.84 MTOR (0.51) MTORRPTORMLST8
SCHEMBL6892718 0.84 MTOR (0.51) MTORRPTORMLST8CHEK1

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