SCHEMBL6891287

SCHEMBL6891287

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.48
RPTOR Q8N122 4/20 0.48
MLST8 Q9BVC4 4/20 0.48
HTR2B P41595 2/20 0.35
JAK2 O60674 4/20 0.35
JAK1 P23458 3/20 0.35
JAK3 P52333 3/20 0.35
TYK2 P29597 2/20 0.35
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
GHSR Q92847 1/20 0.34
PDE10A Q9Y233 1/20 0.33
CDK9 P50750 1/20 0.33
TTK P33981 1/20 0.33
CNR1 P21554 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL6890126 0.91 MTOR (0.49) MTORRPTORMLST8HTR2BJAK2
SCHEMBL6893589 0.88 MTOR (0.47) MTORRPTORMLST8HTR2BJAK2
SCHEMBL6894512 0.86 MTOR (0.48) MTORRPTORMLST8HTR2BJAK2
SCHEMBL1023287 0.84 MTOR (0.53) MTORRPTORMLST8JAK2JAK1
SCHEMBL16104570 0.84 MTOR (0.51) MTORRPTORMLST8
SCHEMBL1073657 0.84 MTOR (0.51) MTORRPTORMLST8
SCHEMBL6892718 0.83 MTOR (0.51) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6890659 0.82 MTOR (0.52) MTORRPTORMLST8JAK1CHEK1
SCHEMBL10254689 0.82 MTOR (0.47) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10239910 0.81 MTOR (0.41) 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-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 WO disclosed