SCHEMBL7687170

SCHEMBL7687170

CC1(C)CN(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
SCHEMBL6993674 0.96 EGFR (0.58) EGFR
SCHEMBL7691399 0.96 EGFR (0.56) EGFR
SCHEMBL7690931 0.88 EGFR (0.60) EGFR
SCHEMBL185140 0.88 EGFR (0.73) EGFR
SCHEMBL1384741 0.88 EGFR (0.73) EGFR
SCHEMBL29623584 0.88 EGFR (0.73) EGFR
SCHEMBL7690216 0.87 EGFR (0.57) EGFR
SCHEMBL6985949 0.87 EGFR (0.57) EGFR
SCHEMBL7690219 0.87 EGFR (0.57) EGFR
SCHEMBL1386500 0.86 EGFR (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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