SCHEMBL7874478

SCHEMBL7874478

Bc1c(N)n2ncc(-c3ccc(-c4cncnc4)nc3)c2nc1[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.40
RPTOR Q8N122 3/20 0.40
MLST8 Q9BVC4 3/20 0.40
CHEK1 O14757 4/20 0.38
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNA1 P78396 3/20 0.38
DGAT1 O75907 10/20 0.36
KCNH2 Q12809 2/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SOAT1 P35610 1/20 0.34
JAK1 P23458 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
SCHEMBL7874643 0.89 CHEK1 (0.48) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7886219 0.89 DGAT1 (0.39) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7883448 0.87 DGAT1 (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7882451 0.81 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7880975 0.81 CHEK1 (0.59) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7878891 0.81 CHEK1 (0.59) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7885824 0.81 MTOR (0.44) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7882510 0.80 CHEK1 (0.48) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7878823 0.80 MTOR (0.45) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6893602 0.80 CHEK1 (0.48) 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