SCHEMBL27788358

SCHEMBL27788358

Cc1nc(I)cc(Nc2ncc(CC(=O)O)s2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 3/20 0.42
▸ ABL1 P00519 5/20 0.38
▸ KIT P10721 4/20 0.38
▸ BCR P11274 3/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ SRC P12931 2/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ YES1 P07947 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ HCK P08631 1/20 0.38
▸ FGR P09769 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL27788420 0.85 LCK (0.42) LCKABL1KITBCRJAK3
SCHEMBL27792012 0.85 LCK (0.42) LCKABL1KITBCRJAK3
SCHEMBL14142362 0.81 LCK (0.52) LCKABL1KITBCRJAK3
SCHEMBL14142008 0.78 LCK (0.51) LCKABL1KITBCRJAK3
SCHEMBL14141840 0.77 LCK (0.50) LCKABL1KITBCRJAK3
SCHEMBL14141667 0.76 LCK (0.47) LCKABL1KITBCRJAK3
SCHEMBL27788357 0.76 LCK (0.42) LCKABL1KITBCRJAK3
SCHEMBL27810250 0.75 SRC (0.68) LCKABL1KITBCRJAK3
SCHEMBL14142219 0.73 LCK (0.47) LCKABL1KITBCRJAK3
SCHEMBL14141841 0.72 ALDH1A1 (0.44) POLBSMN1; SMN2ALDH1A1TSHR

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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