SCHEMBL8616544

SCHEMBL8616544

Fc1nc(Nc2ccc(OCc3ccccn3)cc2)c2cc(OCCCN3CCOCC3)ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.58
FLT3 P36888 1/20 0.49
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
EPHX2 P34913 2/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
SRC P12931 1/20 0.47
MET P08581 1/20 0.47
ERBB2 P04626 1/20 0.47
RAF1 P04049 1/20 0.46
MAP2K1 Q02750 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
SCHEMBL8309923 0.80 EGFR (0.56) EGFRFLT3KCNH2HRH3SRC
SCHEMBL8616538 0.79 HRH3 (0.43) KCNH2HRH3SRCMET
SCHEMBL8619879 0.79 EGFR (0.55) EGFRERBB2
SCHEMBL8614884 0.76 EGFR (0.47) EGFRERBB2
SCHEMBL8616541 0.75 HRH3 (0.43) EGFRFLT3EPHX2KCNH2HRH3
SCHEMBL8620302 0.75 ALDH1A1 (0.52) EGFR
SCHEMBL8427361 0.75 CYP3A4 (0.60) EGFRERBB2
SCHEMBL8620732 0.74 EGFR (0.57) EGFRERBB2
SCHEMBL12474212 0.71 EGFR (0.64) EGFRFLT3AURKBKCNH2HRH3
SCHEMBL7763005 0.71 EGFR (0.61) EGFRFLT3AURKBEPHX2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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