SCHEMBL7880980

SCHEMBL7880980

Nc1c(C=O)c(C2CCN(C(=O)c3nnc[nH]3)CC2)nc2c(-c3ccc(-c4ccc5c(c4)OCO5)nc3)cnn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
TSHR P16473 3/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDR P35968 2/20 0.35
MTOR P42345 3/20 0.35
RPTOR Q8N122 3/20 0.35
MLST8 Q9BVC4 3/20 0.35
SCD5 Q86SK9 5/20 0.34
BTK Q06187 5/20 0.34
RET P07949 3/20 0.34
LCK P06239 2/20 0.34
FYN P06241 2/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FLT3 P36888 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
SCHEMBL10240082 0.90 PDE4A (0.35) ALDH1A1MTORRPTORMLST8RAB9A
SCHEMBL7883963 0.89 HPGD (0.37) HPGDTSHRGAAALDH1A1KDR
SCHEMBL10240007 0.89 MTOR (0.45) KDRMTORRPTORMLST8RET
SCHEMBL10240033 0.86 MTOR (0.39) KDRMTORRPTORMLST8RET
SCHEMBL7876256 0.86 MTOR (0.40) KDRMTORRPTORMLST8RET
SCHEMBL7885321 0.86 MTOR (0.39) HPGDTSHRALDH1A1KDRMTOR
SCHEMBL10240093 0.86 MTOR (0.38) KDRMTORRPTORMLST8SCD5
SCHEMBL10240029 0.86 MTOR (0.35) KDRMTORRPTORMLST8RET
SCHEMBL10240030 0.85 MTOR (0.39) HPGDALDH1A1KDRMTORRPTOR
SCHEMBL10240085 0.85 MTOR (0.39) KDRMTORRPTORMLST8RET

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-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed