SCHEMBL8306136

SCHEMBL8306136

Cc1cc(Nc2ncnc3ccc(OCCBr)cc23)ccc1OCc1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.69
ERBB2 P04626 13/20 0.69
LCK P06239 1/20 0.55
FBP1 P09467 1/20 0.49
ERBB4 Q15303 2/20 0.49
ERBB3 P21860 1/20 0.47
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46

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
SCHEMBL8309699 0.90 ERBB2 (0.68) EGFRERBB2LCKFBP1ERBB4
SCHEMBL8309420 0.89 EGFR (0.67) EGFRERBB2LCKFBP1ERBB4
SCHEMBL4560407 0.87 EGFR (0.76) EGFRERBB2LCKFBP1ERBB4
Hydrochloric Acid SCHEMBL6185804 0.86 EGFR (0.75) EGFRERBB2LCKFBP1ERBB4
SCHEMBL8307102 0.85 EGFR (0.76) EGFRERBB2LCKERBB4ERBB3
SCHEMBL8309272 0.85 EGFR (0.76) EGFRERBB2LCKERBB4ERBB3
SCHEMBL8307584 0.85 ERBB2 (0.68) EGFRERBB2LCKERBB4AURKA
SCHEMBL8306619 0.82 EGFR (0.72) EGFRERBB2LCKERBB4ERBB3
SCHEMBL8306859 0.82 EGFR (1.00) EGFRERBB2LCKERBB4
Hydrochloric Acid SCHEMBL8309362 0.81 EGFR (0.98) EGFRERBB2LCKERBB4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed