SCHEMBL31466883

SCHEMBL31466883

Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C=NOCCN1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.71
ERBB2 P04626 16/20 0.71
AURKA O14965 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
SCHEMBL4736323 1.00 EGFR (0.71) EGFRERBB2AURKA
SCHEMBL1105316 1.00 EGFR (0.71) EGFRERBB2AURKA
SCHEMBL30362981 1.00 EGFR (0.71) EGFRERBB2AURKA
Hydrochloric Acid SCHEMBL29409572 0.99 EGFR (0.70) EGFRERBB2AURKA
Hydrochloric Acid SCHEMBL30363008 0.99 EGFR (0.70) EGFRERBB2AURKA
Hydrochloric Acid SCHEMBL4997757 0.99 EGFR (0.70) EGFRERBB2AURKA
Hydrochloric Acid SCHEMBL5007769 0.99 EGFR (0.70) EGFRERBB2AURKA
Hydrochloric Acid SCHEMBL5007744 0.99 EGFR (0.70) EGFRERBB2AURKA
Hydrochloric Acid SCHEMBL20214611 0.99 EGFR (0.70) EGFRERBB2AURKA
SCHEMBL5005197 0.96 EGFR (0.72) EGFRERBB2AURKA

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-112955137-B Combination therapy 米拉蒂治疗股份有限公司 2025-05-13 CN disclosed