SCHEMBL6162922

SCHEMBL6162922

COc1cc2ncnc(Nc3ccc(/C=C/C(=O)Nc4cccnc4)cc3)c2cc1OC

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 1/20 0.63
RAB9A P51151 1/20 0.63
ABCG2 Q9UNQ0 4/20 0.61
KDR P35968 8/20 0.60
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
ABCB1 P08183 3/20 0.59
SRC P12931 1/20 0.58
EGFR P00533 6/20 0.58
AURKA O14965 1/20 0.55
AURKB Q96GD4 1/20 0.55
RET P07949 1/20 0.55
KIT P10721 1/20 0.54
LCK P06239 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
SCHEMBL6166101 1.00 MEN1 (0.63) MEN1KMT2AKDM4ERAB9AABCG2
SCHEMBL6164357 0.92 HDAC3 (0.56) MEN1KMT2AKDM4ERAB9AABCG2
SCHEMBL6164367 0.92 HDAC3 (0.56) MEN1KMT2AKDM4ERAB9AABCG2
SCHEMBL6162938 0.90 KDR (0.74) ABCG2KDRHDAC3HDAC1HDAC6
SCHEMBL6162947 0.90 KDR (0.74) ABCG2KDRHDAC3HDAC1HDAC6
SCHEMBL6163629 0.86 KDR (0.75) ABCG2KDRHDAC3HDAC1HDAC6
SCHEMBL6164812 0.86 EGFR (0.66) ABCG2KDRHDAC3HDAC1HDAC6
SCHEMBL6164827 0.86 EGFR (0.66) ABCG2KDRHDAC3HDAC1HDAC6
SCHEMBL6161899 0.86 KDR (0.75) ABCG2KDRHDAC3HDAC1HDAC6
SCHEMBL6163849 0.86 HDAC1 (0.73) KDRHDAC3HDAC1HDAC6SRC

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