SCHEMBL4761509

SCHEMBL4761509

O=CC1OC(c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Br)c4)ncnc3cc2F)=CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.48
▸ GAK O14976 1/20 0.48
▸ ERBB2 P04626 12/20 0.45
▸ ERBB4 Q15303 2/20 0.45
▸ ABL1 P00519 4/20 0.44
▸ INSR P06213 4/20 0.44
▸ PDGFRB P09619 4/20 0.44
▸ CDK2 P24941 4/20 0.44
▸ PLK1 P53350 4/20 0.44
▸ HDAC1 Q13547 4/20 0.44
▸ HDAC8 Q9BY41 4/20 0.44
▸ HDAC6 Q9UBN7 4/20 0.44
▸ HDAC3 O15379 3/20 0.44
▸ HDAC4 P56524 3/20 0.44
▸ HDAC7 Q8WUI4 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ HDAC10 Q969S8 3/20 0.44
▸ HDAC11 Q96DB2 3/20 0.44
▸ HDAC9 Q9UKV0 3/20 0.44
▸ HDAC5 Q9UQL6 3/20 0.44

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
SCHEMBL4761170 0.93 EGFR (0.49) EGFRGAKERBB2ERBB4ABL1
SCHEMBL4762220 0.91 EGFR (0.59) EGFRGAKERBB2ERBB4ABL1
SCHEMBL4762431 0.89 EGFR (0.47) EGFRGAKERBB2ERBB4ABL1
SCHEMBL4762253 0.83 EGFR (0.47) EGFRGAKERBB2ERBB4ABL1
SCHEMBL4760093 0.83 EGFR (0.52) EGFRERBB2ERBB4ABL1INSR
SCHEMBL4718954 0.81 EGFR (0.54) EGFRGAKERBB2ERBB4ABL1
SCHEMBL4761860 0.80 EGFR (0.58) EGFRGAKERBB2ERBB4ABL1
SCHEMBL4763230 0.80 EGFR (0.62) EGFRGAKERBB2ERBB4ABL1
SCHEMBL4719704 0.78 EGFR (0.67) EGFRGAKERBB2ERBB4ABL1
SCHEMBL5761814 0.74 EGFR (0.70) EGFRERBB2ERBB4ABL1INSR

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
EP-1454907-B1 Quninazoline and pyridopyrimidine derivatives GLAXO GROUP LTD (GB) 2008-12-17 — — EP claimed
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