SCHEMBL4717305

SCHEMBL4717305

O=Cc1ccc(-c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Br)c4)ncnc3cn2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.55
▸ ERBB2 P04626 13/20 0.55
▸ ABL1 P00519 4/20 0.54
▸ INSR P06213 4/20 0.54
▸ PDGFRB P09619 4/20 0.54
▸ CDK2 P24941 4/20 0.54
▸ PLK1 P53350 3/20 0.54
▸ HDAC3 O15379 2/20 0.54
▸ HDAC4 P56524 2/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC7 Q8WUI4 2/20 0.54
▸ HDAC2 Q92769 2/20 0.54
▸ HDAC10 Q969S8 2/20 0.54
▸ HDAC11 Q96DB2 2/20 0.54
▸ HDAC8 Q9BY41 2/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.54
▸ HDAC9 Q9UKV0 2/20 0.54
▸ HDAC5 Q9UQL6 2/20 0.54
▸ GAK O14976 1/20 0.48
▸ ERBB4 Q15303 3/20 0.47

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
SCHEMBL4718981 0.92 EGFR (0.56) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4720015 0.91 EGFR (0.63) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3321605 0.89 EGFR (0.67) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL142111 0.88 EGFR (0.68) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4718954 0.88 EGFR (0.54) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL5764427 0.83 EGFR (0.70) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4762431 0.81 EGFR (0.47) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3326173 0.80 EGFR (0.68) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4717859 0.80 EGFR (0.54) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4717275 0.80 EGFR (0.61) 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 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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