Sugi Predict

Sugi Predict / Compounds / SCHEMBL4187489

SCHEMBL4187489

SCHEMBL4187489

CN(C)CCCNC(=O)C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 1.00
▸ ERBB2 P04626 11/20 1.00

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
SCHEMBL2944917 0.90 EGFR (0.82) EGFRERBB2
SCHEMBL12340056 0.90 EGFR (0.81) EGFRERBB2
SCHEMBL4194568 0.89 EGFR (1.00) EGFRERBB2
SCHEMBL6504936 0.88 EGFR (0.78) EGFRERBB2
SCHEMBL6504935 0.88 EGFR (0.78) EGFRERBB2
SCHEMBL867890 0.86 EGFR (1.00) EGFRERBB2
SCHEMBL867889 0.86 EGFR (1.00) EGFRERBB2
SCHEMBL30115339 0.86 EGFR (1.00) EGFRERBB2
SCHEMBL4194286 0.85 EGFR (0.74) EGFRERBB2
SCHEMBL4346100 0.85 EGFR (0.73) EGFRERBB2

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-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 — — EP claimed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 — — EP claimed
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 — — US disclosed