SCHEMBL12651275

SCHEMBL12651275

COc1ccccc1Nc1ncc(Cl)c(NCCSSCCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.56
▸ MAPK3 P27361 3/20 0.54
▸ STK17B O94768 1/20 0.50
▸ STK17A Q9UEE5 1/20 0.50
▸ ALK Q9UM73 9/20 0.49
▸ EGFR P00533 1/20 0.48
▸ INSR P06213 4/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ TNK2 Q07912 1/20 0.44

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
SCHEMBL12651273 0.79 STK17B (0.77) STK17BSTK17A
SCHEMBL12651671 0.78 ALK (0.55) ALKINSR
SCHEMBL12609218 0.76 LRRK2 (0.70) LRRK2MAPK3STK17BSTK17AALK
SCHEMBL7458726 0.73 LRRK2 (1.00) LRRK2ALKINSRIGF1RJAK2
SCHEMBL15948501 0.70 MAPK3 (1.00) MAPK3EGFR
SCHEMBL10042756 0.69 ALK (0.56) LRRK2MAPK3STK17AALKEGFR
SCHEMBL30879169 0.69 RAB9A (0.65) LRRK2MAPK3ALKEGFRINSR
SCHEMBL13832176 0.68 ALK (0.62) ALKEGFRINSRIGF1R
SCHEMBL26016229 0.68 STK17B (0.46) STK17BSTK17A
SCHEMBL5670782 0.68 MTNR1A (0.51) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257637-B1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS INC (US) 2015-09-23 — — EP disclosed
US-20110118126-A1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS, INC. 2011-05-19 — — US disclosed
WO-2009120795-A1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-01 — — WO disclosed
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