SCHEMBL21432251

SCHEMBL21432251

COc1cc(N2CCC3(CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)S(C)(=O)=O)n1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.79
▸ MET P08581 1/20 0.79
▸ ALK Q9UM73 11/20 0.71
▸ INSR P06213 3/20 0.62
▸ IGF1R P08069 3/20 0.62
▸ LRRK2 Q5S007 1/20 0.60
▸ ZAP70 P43403 1/20 0.60

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
SCHEMBL25299463 0.93 ALK (0.72) EGFRMETALKLRRK2ZAP70
SCHEMBL26495709 0.90 EGFR (0.67) EGFRMETALKINSRIGF1R
SCHEMBL29059805 0.89 EGFR (0.78) EGFRMETALKINSRIGF1R
Hydrochloric Acid SCHEMBL25261966 0.89 EGFR (0.66) EGFRMETALKINSRIGF1R
SCHEMBL21432428 0.89 ALK (0.73) EGFRMETALKINSRIGF1R
SCHEMBL26500041 0.88 EGFR (0.65) EGFRMETALKZAP70
SCHEMBL30497500 0.88 EGFR (0.65) EGFRMETALKZAP70
SCHEMBL21432183 0.88 EGFR (1.00) EGFRMETALKINSRIGF1R
SCHEMBL21432250 0.88 EGFR (0.94) EGFRMETALKINSRIGF1R
SCHEMBL25306773 0.88 EGFR (0.77) EGFRMETALKLRRK2ZAP70

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-2019190259-A1 NOVEL SULFONAMIDE DERIVATIVE HAVING INHIBITORY EFFECT ON EPIDERMAL GROWTH FACTOR RECEPTOR MUTATION 한미약품 주식회사 2019-10-03 — — WO disclosed
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