SCHEMBL5765382

SCHEMBL5765382

O=Cc1ccc(-c2cc3c(-c4ccc(OCc5cccc(F)c5)c(Br)c4)ncnc3cc2F)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.43
ERBB2 P04626 15/20 0.43
ABL1 P00519 5/20 0.43
INSR P06213 5/20 0.43
PDGFRB P09619 5/20 0.43
CDK2 P24941 5/20 0.43
HDAC3 O15379 5/20 0.43
HDAC4 P56524 5/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC7 Q8WUI4 5/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC10 Q969S8 5/20 0.43
HDAC11 Q96DB2 5/20 0.43
HDAC8 Q9BY41 5/20 0.43
HDAC6 Q9UBN7 5/20 0.43
HDAC9 Q9UKV0 5/20 0.43
HDAC5 Q9UQL6 5/20 0.43
PLK1 P53350 4/20 0.43
MEN1 O00255 1/20 0.36
PIK3C2B O00750 1/20 0.36

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
SCHEMBL6891932 0.93 EGFR (0.42) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3321324 0.93 EGFR (0.40) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3320767 0.90 EGFR (0.49) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3323064 0.89 EGFR (0.45) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4718954 0.85 EGFR (0.54) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL6891928 0.83 EGFR (0.37) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3320684 0.83 EGFR (0.35) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3323274 0.81 EGFR (0.42) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4717859 0.79 EGFR (0.54) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4009043 0.77 EGFR (0.63) EGFRERBB2ABL1INSRPDGFRB

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-1460072-B1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2006-04-05 EP disclosed
EP-1460072-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-09-22 EP disclosed