SCHEMBL3378078

SCHEMBL3378078

CC(Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12)C(=O)N1CCCC1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 0.89
EGFR P00533 3/20 0.67
KCNH2 Q12809 1/20 0.61

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
SCHEMBL3375267 1.00 ERBB2 (0.89) ERBB2EGFRKCNH2
SCHEMBL3375659 1.00 ERBB2 (0.89) ERBB2EGFRKCNH2
SCHEMBL5152803 0.94 ERBB2 (1.00) ERBB2EGFRKCNH2
SCHEMBL3376483 0.94 ERBB2 (1.00) ERBB2EGFRKCNH2
SCHEMBL3375767 0.94 ERBB2 (1.00) ERBB2EGFRKCNH2
SCHEMBL3375094 0.91 ERBB2 (0.89) ERBB2EGFRKCNH2
SCHEMBL5062788 0.91 ERBB2 (0.89) ERBB2EGFRKCNH2
SCHEMBL3380349 0.91 ERBB2 (0.89) ERBB2EGFRKCNH2
SCHEMBL3379109 0.89 ERBB2 (0.86) ERBB2EGFRKCNH2
SCHEMBL3375062 0.89 ERBB2 (0.86) ERBB2EGFRKCNH2

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
EP-1928861-B1 4- (IH-INDAZOL-5-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
EP-1928861-A1 4- (IH-INDAZOL-S-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2008-06-11 EP disclosed
WO-2007034144-A1 4- (IH-INDAZOL-S-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-03-29 WO disclosed