SCHEMBL7879958

SCHEMBL7879958

Cc1c(C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.43
RPTOR Q8N122 3/20 0.43
MLST8 Q9BVC4 3/20 0.43
CHEK1 O14757 8/20 0.40
CCNA2 P20248 7/20 0.40
CDK2 P24941 7/20 0.40
CCNA1 P78396 7/20 0.40
KDM5A P29375 1/20 0.35
NPC1 O15118 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 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
SCHEMBL10234844 0.91 MTOR (0.40) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234812 0.91 CHEK1 (0.47) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10240006 0.90 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7875541 0.82 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234849 0.81 MTOR (0.40) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234809 0.81 CHEK1 (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7883194 0.80 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234807 0.79 CHEK1 (0.44) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7884582 0.79 MTOR (0.40) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234819 0.78 CHEK1 (0.47) 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-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed