SCHEMBL7879137

SCHEMBL7879137

Bc1c(N)n2ncc(-c3ccc(-c4csc(OC)n4)nc3)c2nc1[C@H]1CC[C@@H](C(F)C(=O)O)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.34
▸ RET P07949 7/20 0.34
▸ KIF5B P33176 7/20 0.34
▸ LCK P06239 3/20 0.34
▸ CSF1R P07333 3/20 0.34
▸ LYN P07948 3/20 0.34
▸ PDGFRB P09619 3/20 0.34
▸ FGR P09769 3/20 0.34
▸ KIT P10721 3/20 0.34
▸ SRC P12931 3/20 0.34
▸ PDGFRA P16234 3/20 0.34
▸ FGFR2 P21802 3/20 0.34
▸ BLK P51451 3/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ FGFR4 P22455 2/20 0.34
▸ FGFR3 P22607 2/20 0.34
▸ NTRK3 Q16288 2/20 0.34
▸ NTRK2 Q16620 2/20 0.34
▸ IGF1R P08069 1/20 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
SCHEMBL10237401 0.92 CHEK1 (0.40) KDRRETKIF5BLCKCSF1R
SCHEMBL7874817 0.84 MTOR (0.44) KDRRETKIF5BFGFR1NTRK3
SCHEMBL7874827 0.84 MTOR (0.38) KDRMTORRPTORMLST8NPC1
SCHEMBL7882519 0.83 CHEK1 (0.36) MTORRPTORMLST8NPC1RAB9A
SCHEMBL7882501 0.80 MTOR (0.33) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7884144 0.78 KDM4E (0.44) MTORRPTORMLST8NPC1RAB9A
SCHEMBL7883695 0.78 CCNA2 (0.42) RETMTORRPTORMLST8SYK
SCHEMBL7878823 0.76 MTOR (0.45) MTORRPTORMLST8NPC1RAB9A
SCHEMBL595379 0.76 MTOR (0.43) KDRRETKIF5BLCKCSF1R
SCHEMBL2686451 0.76 MTOR (0.43) KDRRETKIF5BLCKCSF1R

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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