SCHEMBL7874518

SCHEMBL7874518

Bc1c(C2CCC3(CC2)CC3(F)C(=O)O)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.42
RPTOR Q8N122 5/20 0.42
MLST8 Q9BVC4 5/20 0.42
CHEK1 O14757 5/20 0.35
CCNA2 P20248 4/20 0.35
CDK2 P24941 4/20 0.35
CCNA1 P78396 4/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
BLM P54132 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
JAK1 P23458 1/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 4/20 0.34
KDR P35968 2/20 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
SCHEMBL2679949 0.90 CHEK1 (0.44) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL22077 0.90 MTOR (0.44) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL19905 0.88 MTOR (0.45) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL20164 0.84 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7882443 0.84 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7874817 0.83 MTOR (0.44) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7882475 0.83 CHEK1 (0.46) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7885824 0.82 MTOR (0.44) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL20333 0.82 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7878823 0.81 MTOR (0.45) 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