SCHEMBL8306919

SCHEMBL8306919

COc1cc2ncnc(Nc3ccc(OCc4ccccn4)cc3F)c2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.65
FLT1 P17948 7/20 0.65
EGFR P00533 9/20 0.64
FGFR1 P11362 3/20 0.64
RET P07949 5/20 0.62
KIF5B P33176 4/20 0.62
ERBB2 P04626 2/20 0.62
FLT4 P35916 2/20 0.61
EPHB2 P29323 1/20 0.61
ERBB4 Q15303 1/20 0.58
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54

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
SCHEMBL7455632 0.89 FLT1 (0.77) KDRFLT1EGFRFGFR1FLT4
SCHEMBL8306485 0.85 EGFR (0.53) KDRFLT1EGFRFGFR1RET
SCHEMBL8305114 0.84 EGFR (0.49) KDRFLT1EGFRERBB2ERBB4
SCHEMBL8308072 0.83 EGFR (0.49) KDRFLT1EGFRFGFR1ERBB2
SCHEMBL18158255 0.83 EGFR (0.73) KDRFLT1EGFRFGFR1RET
SCHEMBL8309481 0.82 EGFR (0.50) KDRFLT1EGFRFGFR1ERBB2
SCHEMBL8308821 0.82 EGFR (0.80) KDRFLT1EGFRFGFR1RET
SCHEMBL9911563 0.81 EGFR (0.55) KDRFLT1EGFRRETERBB2
SCHEMBL9910687 0.81 EGFR (0.57) KDREGFRRETKIF5BERBB2
SCHEMBL8309434 0.81 EGFR (0.66) KDREGFRERBB2ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP claimed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP claimed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO claimed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP 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