SCHEMBL7879961

SCHEMBL7879961

CC(=O)c1c(C2CCN(C(=O)CN3CCC4C[C@H]4CC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.40
▸ RPTOR Q8N122 3/20 0.40
▸ MLST8 Q9BVC4 3/20 0.40
▸ TMEM97 Q5BJF2 6/20 0.38
▸ SIGMAR1 Q99720 3/20 0.36
▸ CHEK1 O14757 2/20 0.36
▸ CCNA2 P20248 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ KDR P35968 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RET P07949 2/20 0.34
▸ KIF5B P33176 2/20 0.34
▸ ETV6 P41212 2/20 0.34
▸ CCDC6 Q16204 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 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
SCHEMBL10234860 0.91 TMEM97 (0.45) MTORRPTORMLST8TMEM97SIGMAR1
SCHEMBL10234699 0.89 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234841 0.87 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10239910 0.87 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7883198 0.87 MTOR (0.38) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10235107 0.86 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234831 0.86 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10239903 0.86 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234681 0.86 MTOR (0.40) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234682 0.86 MTOR (0.40) 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
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