SCHEMBL7218046

SCHEMBL7218046

Brc1cccc(Nc2ncnc3c2sc2ccccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 1.00
NOX4 Q9NPH5 1/20 0.61
ABCG2 Q9UNQ0 1/20 0.59

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
SCHEMBL2992692 0.87 EGFR (0.98) EGFRNOX4
SCHEMBL2988586 0.87 EGFR (1.00) EGFRNOX4
SCHEMBL2990650 0.83 EGFR (0.93) EGFRNOX4
SCHEMBL2989582 0.82 EGFR (0.69) EGFRABCG2
SCHEMBL923953 0.80 EGFR (0.67) EGFRABCG2
SCHEMBL2988437 0.78 EGFR (0.98) EGFR
SCHEMBL5251369 0.75 EGFR (0.59) EGFR
SCHEMBL2992623 0.74 EGFR (1.00) EGFRABCG2
SCHEMBL5569425 0.74 EGFR (0.72) EGFRABCG2
SCHEMBL29116561 0.73 EGFR (0.60) 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
US-6596726-B1 Method of inhibiting epidermal growth factor by treating, with an effective inhibiting amount, a mammal, in need thereof inhibit the epidermal growth factor receptor and related receptors and, in particular, their tyrosine kinase enzyme WARNER LAMBERT COMPANY 2003-07-22 US disclosed
EP-0741711-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-13 EP disclosed
WO-1995019970-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 WO disclosed