SCHEMBL27788354

SCHEMBL27788354

Cc1nc(Br)cc(Nc2ncc(C(C)(C)OC=O)s2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.35
▸ KIT P10721 6/20 0.32
▸ SRC P12931 2/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ YES1 P07947 1/20 0.32
▸ LYN P07948 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ FGR P09769 1/20 0.32
▸ BCR P11274 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ MAP3K12 Q12852 1/20 0.32
▸ FLT3 P36888 5/20 0.31
▸ NTRK1 P04629 1/20 0.30

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
SCHEMBL27810172 0.86 LCK (0.35) LCKKITSRCMAPK13ABL1
SCHEMBL27813487 0.86 CHRNA7 (0.37) LCKKITSRCMAPK13ABL1
SCHEMBL27788365 0.75 SRC (0.61) LCKKITSRCMAPK13ABL1
SCHEMBL27810196 0.72 SRC (0.47) KITSRCABL1FLT3NTRK1
SCHEMBL14141815 0.71 LCK (0.50) LCKKITSRCMAPK13ABL1
SCHEMBL14141859 0.71 LCK (0.52) LCKKITSRCMAPK13ABL1
SCHEMBL27788418 0.71 LCK (0.42) LCKKITSRCMAPK13ABL1
SCHEMBL27788356 0.70 SRC (0.47) KITSRCABL1FLT3NTRK1
SCHEMBL14141723 0.70 LCK (0.51) LCKKITSRCMAPK13ABL1
SCHEMBL14141947 0.69 LCK (0.47) LCKKITSRCMAPK13ABL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101812060-B Simple novel method for preparing high-purity Sprycel, and intermediate compound NANJING CAVENDISH BIOENGINEERING TECHNOLOGY CO LTD 2011-08-17 — — CN claimed
CN-101812060-A Simple novel method for preparing high-purity Sprycel, and intermediate compound NANJING CAVENDISH BIO ENGINEERING TECHNOLOGY CO LTD 2010-08-25 — — CN claimed
CN-101812060-B Simple novel method for preparing high-purity Sprycel, and intermediate compound NANJING CAVENDISH BIOENGINEERING TECHNOLOGY CO LTD 2011-08-17 — — CN disclosed
CN-101812060-A Simple novel method for preparing high-purity Sprycel, and intermediate compound NANJING CAVENDISH BIO ENGINEERING TECHNOLOGY CO LTD 2010-08-25 — — CN disclosed
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