SCHEMBL27773162

SCHEMBL27773162

Cc1nc(Cl)cc(Nc2ncc(C(=O)OCc3ccccc3)s2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.48
▸ AURKA O14965 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ LCK P06239 9/20 0.48
▸ ABL1 P00519 8/20 0.48
▸ BCR P11274 4/20 0.48
▸ SRC P12931 4/20 0.48
▸ KIT P10721 3/20 0.48
▸ EGFR P00533 2/20 0.48
▸ FYN P06241 2/20 0.48
▸ YES1 P07947 2/20 0.48
▸ LYN P07948 2/20 0.48
▸ HCK P08631 2/20 0.48
▸ MAPK14 Q16539 2/20 0.48
▸ MAPK13 O15264 1/20 0.48
▸ ERBB2 P04626 1/20 0.48
▸ FGR P09769 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ MAPK12 P53778 1/20 0.48
▸ MAPK11 Q15759 1/20 0.48

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
SCHEMBL21495194 0.87 SIK2 (0.48) FLT3LCKABL1BCRSRC
SCHEMBL4254631 0.84 ABL1 (0.50) FLT3LCKABL1BCRSRC
SCHEMBL4254834 0.81 LCK (0.52) FLT3LCKABL1BCRSRC
SCHEMBL22964561 0.80 LCK (0.60) LCKABL1BCRSRCKIT
SCHEMBL20633817 0.79 RAB9A (0.52) LCKABL1BCRSRCKIT
SCHEMBL12445981 0.79 LCK (0.52) FLT3LCKABL1BCRSRC
SCHEMBL22964566 0.77 LCK (0.56) FLT3LCKABL1BCRSRC
SCHEMBL20785959 0.76 PKMYT1 (0.66) LCKABL1BCRSRCKIT
SCHEMBL28371011 0.76 LCK (0.63) LCKABL1BCRSRCKIT
SCHEMBL14141667 0.76 LCK (0.47) AURKALCKABL1BCRSRC

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
CN-101597284-A A kind of preparation method of antineoplastic compound BEIJING LAIDESAILUSEN PHARMACE (CN) 2009-12-09 — — CN disclosed
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