SCHEMBL6891435

SCHEMBL6891435

CCC(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3[nH]cc(Cl)c23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.44
RPTOR Q8N122 4/20 0.44
MLST8 Q9BVC4 4/20 0.44
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
MAPK8 P45983 5/20 0.37
MAPK9 P45984 5/20 0.37
JUN P05412 4/20 0.37
CDK2 P24941 4/20 0.37
MAPK10 P53779 4/20 0.37
HTR2B P41595 1/20 0.35
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL6893503 0.88 MTOR (0.44) MTORRPTORMLST8MAPK8MAPK9
SCHEMBL6890126 0.86 MTOR (0.49) MTORRPTORMLST8ACACBACACA
SCHEMBL16104566 0.85 MTOR (0.49) MTORRPTORMLST8ACACBACACA
SCHEMBL6893613 0.84 MTOR (0.46) MTORRPTORMLST8CDK2MAPT
SCHEMBL40378 0.80 MTOR (0.42) MTORRPTORMLST8ACACBACACA
SCHEMBL6891287 0.77 MTOR (0.48) MTORRPTORMLST8ACACBACACA
SCHEMBL6891641 0.76 PIK3CD (0.41) MTORRPTORMLST8ACACBACACA
SCHEMBL7886685 0.75 CHEK1 (0.41) MTORRPTORMLST8ACACBACACA
SCHEMBL10240157 0.75 MTOR (0.44) MTORRPTORMLST8ACACBACACA
SCHEMBL10234699 0.74 MTOR (0.42) MTORRPTORMLST8ACACBACACA

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