SCHEMBL8307018

SCHEMBL8307018

COc1cc2c(Nc3ccc(OCc4ccccn4)c(C)c3)ncnc2cc1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.85
ERBB2 P04626 4/20 0.85
RET P07949 5/20 0.61
KDR P35968 5/20 0.61
KIF5B P33176 3/20 0.61
AURKB Q96GD4 2/20 0.57
ERBB4 Q15303 2/20 0.57
JAK3 P52333 2/20 0.57
GAK O14976 1/20 0.57
RIPK2 O43353 1/20 0.57
STK10 O94804 1/20 0.57
FLT3 P36888 1/20 0.57
AAK1 Q2M2I8 1/20 0.57
Q6ZSR9 Q6ZSR9 1/20 0.57
SLK Q9H2G2 1/20 0.57
IRAK4 Q9NWZ3 1/20 0.57
RPS6KA6 Q9UK32 1/20 0.57
ALK Q9UM73 1/20 0.57
AURKA O14965 1/20 0.56
LCK P06239 4/20 0.56

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
SCHEMBL8309982 0.96 EGFR (0.85) EGFRERBB2RETKDRKIF5B
SCHEMBL8306859 0.92 EGFR (1.00) EGFRERBB2RETKDRKIF5B
Hydrochloric Acid SCHEMBL8309362 0.91 EGFR (0.98) EGFRERBB2RETKDRKIF5B
SCHEMBL8307102 0.87 EGFR (0.76) EGFRERBB2RETKDRKIF5B
SCHEMBL7455454 0.86 EGFR (0.79) EGFRERBB2RETKDRKIF5B
SCHEMBL5126379 0.86 EGFR (0.85) EGFRERBB2RETKDRKIF5B
SCHEMBL8309599 0.86 EGFR (0.84) EGFRERBB2RETKDRKIF5B
SCHEMBL8308774 0.86 EGFR (0.84) EGFRERBB2RETKDRKIF5B
Hydrochloric Acid SCHEMBL7455938 0.86 EGFR (0.77) EGFRERBB2RETKDRKIF5B
SCHEMBL215281 0.86 EGFR (0.69) EGFRERBB2RETKDRKIF5B

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