SCHEMBL6162967

SCHEMBL6162967

COc1cc2c(Nc3ccc(C=CC(=O)NCC4CCCCC4)cc3)ncnc2cc1OCC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.55
HDAC1 Q13547 4/20 0.55
HDAC6 Q9UBN7 4/20 0.55
ABCG2 Q9UNQ0 4/20 0.52
HDAC4 P56524 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
KDR P35968 9/20 0.51
EPHA2 P29317 3/20 0.51
EPHB4 P54760 3/20 0.51
EGFR P00533 5/20 0.48
KMT2A Q03164 1/20 0.48
ABCB1 P08183 3/20 0.48
ERBB2 P04626 1/20 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
SCHEMBL6162961 1.00 HDAC3 (0.55) HDAC3HDAC1HDAC6ABCG2HDAC4
SCHEMBL6161970 0.89 HDAC3 (0.57) HDAC3HDAC1HDAC6ABCG2HDAC4
SCHEMBL6165933 0.89 HDAC3 (0.57) HDAC3HDAC1HDAC6ABCG2HDAC4
SCHEMBL6163903 0.89 HDAC3 (0.57) HDAC3HDAC1HDAC6ABCG2HDAC4
SCHEMBL6163910 0.89 HDAC3 (0.57) HDAC3HDAC1HDAC6ABCG2HDAC4
SCHEMBL6162711 0.88 EPHA2 (0.53) HDAC3HDAC1HDAC6ABCG2HDAC4
SCHEMBL6162702 0.88 EPHA2 (0.53) HDAC3HDAC1HDAC6ABCG2HDAC4
SCHEMBL6161811 0.88 HDAC3 (0.62) HDAC3HDAC1HDAC6ABCG2HDAC4
SCHEMBL6163655 0.88 HDAC3 (0.62) HDAC3HDAC1HDAC6ABCG2HDAC4
SCHEMBL6165549 0.84 HDAC3 (0.57) HDAC3HDAC1HDAC6ABCG2HDAC4

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