SCHEMBL8309178

SCHEMBL8309178

Cc1cc(Nc2ncnc3ccc(NC(=O)CCl)cc23)ccc1OCc1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.70
ERBB2 P04626 11/20 0.70
LCK P06239 1/20 0.70
GMPS P49915 2/20 0.61
ERBB4 Q15303 2/20 0.53
AURKA O14965 1/20 0.53
RPS6KB1 P23443 1/20 0.53

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
SCHEMBL8310027 0.90 EGFR (0.66) EGFRERBB2LCKGMPSERBB4
SCHEMBL8308380 0.90 EGFR (0.82) EGFRERBB2LCKERBB4AURKA
SCHEMBL10080877 0.86 EGFR (0.61) EGFRERBB2LCKERBB4AURKA
SCHEMBL8307102 0.85 EGFR (0.76) EGFRERBB2LCKERBB4AURKA
SCHEMBL4560407 0.83 EGFR (0.76) EGFRERBB2LCKERBB4AURKA
SCHEMBL8309272 0.83 EGFR (0.76) EGFRERBB2LCKERBB4AURKA
SCHEMBL8307584 0.83 ERBB2 (0.68) EGFRERBB2LCKERBB4AURKA
SCHEMBL2251397 0.83 ERBB2 (0.79) EGFRERBB2LCKERBB4AURKA
Hydrochloric Acid SCHEMBL6185804 0.82 EGFR (0.75) EGFRERBB2LCKERBB4AURKA
SCHEMBL8306619 0.82 EGFR (0.72) EGFRERBB2LCKERBB4AURKA

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