SCHEMBL4967582

SCHEMBL4967582

CS(=O)(=O)OCCOCCOCCOCCOCCOCCOc1cc2ncnc(Nc3cccc(I)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.57
▸ EGFR P00533 16/20 0.54
▸ ERBB2 P04626 1/20 0.52
▸ ERBB4 Q15303 1/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ RET P07949 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ KDR P35968 1/20 0.45

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
SCHEMBL5123093 1.00 FBP1 (0.57) FBP1EGFRERBB2ERBB4ABCG2
SCHEMBL5115813 1.00 FBP1 (0.57) FBP1EGFRERBB2ERBB4ABCG2
SCHEMBL4968920 0.90 FBP1 (0.72) FBP1EGFRERBB2ERBB4ABCG2
SCHEMBL4968868 0.90 FBP1 (0.72) FBP1EGFRERBB2ERBB4ABCG2
SCHEMBL4967305 0.90 FBP1 (0.72) FBP1EGFRERBB2ERBB4ABCG2
SCHEMBL4968744 0.88 FBP1 (0.58) FBP1EGFRERBB2ERBB4ABCG2
SCHEMBL4968201 0.88 FBP1 (0.58) FBP1EGFRERBB2ERBB4ABCG2
SCHEMBL4967436 0.88 FBP1 (0.58) FBP1EGFRERBB2ERBB4ABCG2
SCHEMBL4968371 0.88 FBP1 (0.58) FBP1EGFRERBB2ERBB4ABCG2
SCHEMBL4972747 0.88 FBP1 (0.58) FBP1EGFRERBB2ERBB4ABCG2

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-8461166-B2 Anilinoquinazolinyl amide derivatives; radiolabels as bioprobes for Positron Emission Tomography and Single Photon Emission Computed Tomography, and as radiopharmaceuticals for radiotherapy; improved solubility, bioavailability, biostability HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2013-06-11 — — US disclosed
EP-1957468-A2 POLYALKYLENE GLYCOL DERIVATIVES OF 4 - (PHENYLAMINO)QUINAZOLINES USEFUL AS IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE T.K. Signal Ltd. (IL) 2008-08-20 — — EP disclosed
WO-2007029251-A2 POLYALKYLENE GLYCOL DERIVATIVES OF 4- (PHENYLAMINO)QUINAZOLINES USEFUL AS IRREVERSIBLE INHIBITORS OF EPIDERMAL GR0WTH FACT0R RECEPTOR TYROSINE KINASE T.K. SIGNAL LTD. (IL) 2007-03-15 — — WO disclosed
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