SCHEMBL12609218

SCHEMBL12609218

COc1ccccc1Nc1ncc(Cl)c(NCCS)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.70
▸ ALK Q9UM73 8/20 0.57
▸ INSR P06213 4/20 0.57
▸ IGF1R P08069 3/20 0.57
▸ JAK2 O60674 2/20 0.55
▸ SRC P12931 2/20 0.55
▸ TNK2 Q07912 2/20 0.55
▸ STK17B O94768 1/20 0.53
▸ STK17A Q9UEE5 1/20 0.53
▸ CDK7 P50613 1/20 0.53
▸ CDK9 P50750 1/20 0.53
▸ EGFR P00533 1/20 0.52
▸ MAPK3 P27361 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ RAD52 P43351 2/20 0.48
▸ USP2 O75604 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
SCHEMBL7458726 0.83 LRRK2 (1.00) LRRK2ALKINSRIGF1RJAK2
SCHEMBL12651275 0.76 LRRK2 (0.56) LRRK2ALKINSRIGF1RJAK2
SCHEMBL19203872 0.76 LRRK2 (0.69) LRRK2ALKINSRIGF1RJAK2
SCHEMBL13191368 0.75 LRRK2 (0.67) LRRK2ALKINSRIGF1RCDK7
SCHEMBL21557830 0.75 ALK (0.81) LRRK2ALKINSRIGF1REGFR
SCHEMBL9911260 0.73 LRRK2 (0.71) LRRK2ALKINSRIGF1RCDK7
SCHEMBL12893063 0.73 ALK (0.77) LRRK2ALKINSRIGF1RJAK2
SCHEMBL30395442 0.73 LRRK2 (0.65) LRRK2ALKINSRIGF1RCDK7
SCHEMBL2060438 0.73 LRRK2 (0.65) LRRK2ALKINSRIGF1RCDK7
SCHEMBL11916548 0.73 ALK (1.00) LRRK2ALKINSRIGF1REGFR

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
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
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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