SCHEMBL7875015

SCHEMBL7875015

CCC(=O)N1CCC(c2nc3c(-c4ccc(-c5cnc6sccc6c5)nc4)cnn3c(N)c2C(C)=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.33
▸ MTOR P42345 3/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ LCK P06239 3/20 0.32
▸ SRC P12931 3/20 0.32
▸ KDR P35968 3/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ LYN P07948 1/20 0.32
▸ RET P07949 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ FGR P09769 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ KIF5B P33176 1/20 0.32

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
SCHEMBL10235358 0.89 MTOR (0.32) MTORPIK3CALCKSRCKDR
SCHEMBL7879269 0.89 LCK (0.32) MTORPIK3CALCKSRCKDR
SCHEMBL7886688 0.84 PIK3CA (0.43) MTORPIK3CA
SCHEMBL7875019 0.84 ROCK2 (0.35) LCKSRCKDRJAK2CSF1R
SCHEMBL7886240 0.83 KDR (0.34) LCKSRCKDRJAK2CSF1R
SCHEMBL10237007 0.83 LCK (0.38) LCKSRCKDRRETCHEK1
SCHEMBL10237951 0.83 LCK (0.39) METMTORPIK3CALCKSRC
SCHEMBL7881735 0.82 CHEK1 (0.34) LCKSRCKDRJAK2CSF1R
SCHEMBL10234699 0.81 MTOR (0.42) METMTORKDRRETKIF5B
SCHEMBL10234708 0.81 CHEK1 (0.44) METKDRCHEK1CCNA2CDK2

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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