SCHEMBL8309699

SCHEMBL8309699

CNCCOc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(C)c3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.68
EGFR P00533 16/20 0.68
LCK P06239 1/20 0.54
ERBB4 Q15303 2/20 0.48
FBP1 P09467 1/20 0.46
ERBB3 P21860 1/20 0.46
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
SCHEMBL8306136 0.90 EGFR (0.69) ERBB2EGFRLCKERBB4FBP1
SCHEMBL8309420 0.89 EGFR (0.67) ERBB2EGFRLCKERBB4FBP1
SCHEMBL4560407 0.84 EGFR (0.76) ERBB2EGFRLCKERBB4FBP1
SCHEMBL8307102 0.84 EGFR (0.76) ERBB2EGFRLCKERBB4ERBB3
SCHEMBL8309272 0.84 EGFR (0.76) ERBB2EGFRLCKERBB4ERBB3
SCHEMBL8307584 0.84 ERBB2 (0.68) ERBB2EGFRLCKERBB4AURKA
Hydrochloric Acid SCHEMBL6185804 0.83 EGFR (0.75) ERBB2EGFRLCKERBB4FBP1
SCHEMBL8306619 0.83 EGFR (0.72) ERBB2EGFRLCKERBB4ERBB3
SCHEMBL8306859 0.81 EGFR (1.00) ERBB2EGFRLCKERBB4
SCHEMBL8310027 0.81 EGFR (0.66) ERBB2EGFRLCKERBB4AURKA

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 2 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