SCHEMBL24565253

SCHEMBL24565253

CCOCCCOc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(C)(=O)=O)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.62
▸ INSR P06213 13/20 0.59
▸ IGF1R P08069 2/20 0.59
▸ EGFR P00533 1/20 0.55
▸ ZAP70 P43403 1/20 0.55

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
SCHEMBL24565245 0.90 ALK (0.61) ALKINSREGFR
SCHEMBL24565480 0.86 ALK (0.65) ALKINSRIGF1REGFRZAP70
SCHEMBL12780338 0.80 ALK (0.61) ALKINSRIGF1REGFRZAP70
SCHEMBL1912076 0.80 ALK (0.64) ALKINSRIGF1REGFRZAP70
SCHEMBL1912014 0.80 ALK (0.63) ALKINSRIGF1REGFRZAP70
SCHEMBL24565260 0.79 EGFR (0.58) ALKINSREGFR
SCHEMBL1707766 0.79 EGFR (0.61) ALKEGFR
SCHEMBL24565334 0.78 EGFR (0.57) ALKINSREGFR
SCHEMBL12781605 0.78 ALK (0.62) ALKINSRIGF1REGFR
SCHEMBL12729356 0.78 ALK (0.63) ALKINSRZAP70

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
WO-2022139386-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 주식회사 비투에스바이오 2022-06-30 — — WO disclosed
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