SCHEMBL20162

SCHEMBL20162

CO[C@H]1CC[C@@H](c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.42
CHEK1 O14757 3/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
MAPK1 P28482 2/20 0.34
MTOR P42345 2/20 0.34
RPTOR Q8N122 2/20 0.34
MLST8 Q9BVC4 2/20 0.34
RET P07949 4/20 0.33
KIF5B P33176 4/20 0.33
KDR P35968 4/20 0.33
ETV6 P41212 4/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
STAT1 P42224 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7883028 0.92 DGAT1 (0.41) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL15026290 0.91 CHEK1 (0.40) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL2723620 0.90 DGAT1 (0.43) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL2680276 0.90 CHEK1 (0.41) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL15007294 0.89 DGAT1 (0.39) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL15007528 0.89 DGAT1 (0.39) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL21356 0.89 DGAT1 (0.40) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL14298310 0.89 DGAT1 (0.40) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL14298078 0.89 DGAT1 (0.40) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL10327979 0.89 DGAT1 (0.40) DGAT1CHEK1CCNA2CDK2CCNA1

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-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 WO disclosed