SCHEMBL27464685

SCHEMBL27464685

COc1cc2nccc(NC(=O)c3ccc(F)c(NC(=O)c4ccccc4)c3)c2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.61
▸ EGFR P00533 5/20 0.61
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC8 Q9BY41 2/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.54
▸ KDR P35968 3/20 0.50
▸ PDGFRA P16234 3/20 0.50
▸ AURKA O14965 1/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ KIT P10721 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MET P08581 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 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
SCHEMBL6788335 0.89 EGFR (0.60) MAPK14EGFRKDRPDGFRAAURKA
Hydrochloric Acid SCHEMBL6793325 0.88 EGFR (0.59) MAPK14EGFRKDRPDGFRAAURKA
SCHEMBL6794349 0.78 MAPK14 (0.81) MAPK14EGFRKDRAURKAAURKB
Hydrochloric Acid SCHEMBL27479012 0.78 CLK1 (0.63) MAPK14EGFRKDRPDGFRAHSD17B10
SCHEMBL27731208 0.78 EGFR (0.65) MAPK14EGFRHDAC1HDAC8HDAC6
SCHEMBL21358588 0.77 PDGFRA (0.60) EGFRKDRPDGFRAKITMET
SCHEMBL21473619 0.74 MAPK14 (0.81) MAPK14EGFRKDRAURKAAURKB
SCHEMBL4549026 0.74 KDR (0.72) KDRAURKAAURKBMET
SCHEMBL27837488 0.74 CYP1A2 (0.66) MAPK14MEN1KMT2AHDAC1HDAC8
SCHEMBL2747364 0.73 KDR (0.72) KDRAURKAAURKBMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1158266-C Chemical compounds — 2004-07-21 — — CN disclosed
CN-1321151-A Chemical compounds ASTRAZENECA AB (SE) 2001-11-07 — — CN disclosed
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