SCHEMBL7688337

SCHEMBL7688337

CN(CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1[N+](=O)[O-])C1COC(=O)C1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.54
▸ KDR P35968 1/20 0.51
▸ FBP1 P09467 1/20 0.48

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
SCHEMBL7683735 0.96 EGFR (0.54) EGFR
SCHEMBL6995705 0.88 EGFR (0.57) EGFRKDRFBP1
SCHEMBL1383950 0.88 EGFR (0.70) EGFRKDRFBP1
SCHEMBL1384673 0.88 EGFR (0.70) EGFRKDRFBP1
SCHEMBL6989473 0.86 EGFR (0.58) EGFRKDRFBP1
SCHEMBL4220580 0.85 EGFR (0.57) EGFRKDRFBP1
SCHEMBL1386754 0.85 EGFR (0.57) EGFRKDRFBP1
SCHEMBL4226627 0.85 EGFR (0.57) EGFRKDRFBP1
SCHEMBL4225530 0.85 EGFR (0.57) EGFRKDRFBP1
SCHEMBL6991313 0.85 EGFR (0.57) EGFRKDRFBP1

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
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