SCHEMBL6985949

SCHEMBL6985949

C[C@@H]1CN(CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2[N+](=O)[O-])CC(=O)O1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.57

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
SCHEMBL7690219 1.00 EGFR (0.57) EGFR
SCHEMBL7690216 1.00 EGFR (0.57) EGFR
SCHEMBL7688308 0.96 EGFR (0.57) EGFR
SCHEMBL6990902 0.96 EGFR (0.57) EGFR
SCHEMBL7691245 0.96 EGFR (0.57) EGFR
SCHEMBL7690356 0.96 EGFR (0.56) EGFR
SCHEMBL6987765 0.96 EGFR (0.56) EGFR
SCHEMBL6990406 0.96 EGFR (0.56) EGFR
SCHEMBL1383708 0.88 EGFR (0.73) EGFR
SCHEMBL6990366 0.88 EGFR (0.73) EGFR

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-1322645-A2 QUINAZOLINES, MEDICAMENTS, WHICH CONTAIN THESE COMPOUNDS AND WHICH ARE EFFECTIVE AS TYROSINE KINASE INHIBITORS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-02 EP disclosed
US-6403580-B1 HAVING AN INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES, THE USE THEREOF FOR TREATING DISEASES, PARTICULARLY TUMORAL DISEASES, DISEASES OF THE LUNGS AND RESPIRATORY TRACT, AND THE PREPARATION THEREOF. BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-11 US disclosed
WO-2002018375-A1 QUINAZOLINES, MEDICAMENTS, WHICH CONTAIN THESE COMPOUNDS AND WHICH ARE EFFECTIVE AS TYROSINE KINASE INHIBITORS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 WO disclosed