SCHEMBL6163629

SCHEMBL6163629

COc1cccc(NC(=O)C=Cc2ccc(Nc3ncnc4cc(OC)c(OC)cc34)cc2)c1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.75
ABCG2 Q9UNQ0 4/20 0.70
ABCB1 P08183 3/20 0.70
FLT4 P35916 3/20 0.69
PDGFRB P09619 2/20 0.69
EGFR P00533 7/20 0.67
SRC P12931 2/20 0.66
RET P07949 1/20 0.66
HDAC3 O15379 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
KIT P10721 1/20 0.60
FLT1 P17948 1/20 0.58
LCK P06239 1/20 0.58

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
SCHEMBL6161899 1.00 KDR (0.75) KDRABCG2ABCB1FLT4PDGFRB
SCHEMBL6164812 0.91 EGFR (0.66) KDRABCG2ABCB1EGFRSRC
SCHEMBL6164827 0.91 EGFR (0.66) KDRABCG2ABCB1EGFRSRC
SCHEMBL6162947 0.91 KDR (0.74) KDRABCG2ABCB1EGFRSRC
SCHEMBL6162938 0.91 KDR (0.74) KDRABCG2ABCB1EGFRSRC
SCHEMBL6165229 0.87 ABCG2 (0.64) KDRABCG2ABCB1EGFRRET
SCHEMBL6163282 0.87 ABCG2 (0.64) KDRABCG2ABCB1EGFRRET
SCHEMBL6166357 0.87 KDR (0.70) KDRABCG2ABCB1EGFRRET
SCHEMBL6163496 0.87 KDR (0.70) KDRABCG2ABCB1EGFRRET
SCHEMBL6166101 0.86 MEN1 (0.63) KDRABCG2ABCB1EGFRSRC

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-1218357-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-04-06 EP claimed