SCHEMBL2305016

SCHEMBL2305016

COc1cc2nccc(Oc3ccccc3Nc3nnc(-c4ccccc4)c4ccccc34)c2cc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.52
POLB P06746 1/20 0.52
RECQL P46063 1/20 0.52
MAPT P10636 1/20 0.52
KDR P35968 6/20 0.49
AURKB Q96GD4 5/20 0.49
AURKA O14965 4/20 0.49
MET P08581 4/20 0.49
TEK Q02763 4/20 0.49
SRC P12931 3/20 0.48
TGFBR1 P36897 3/20 0.48
RET P07949 5/20 0.48
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
ABL1 P00519 2/20 0.44
AXL P30530 1/20 0.44
RIPK2 O43353 1/20 0.44
ERN1 O75460 1/20 0.44
STK10 O94804 1/20 0.44
MAP3K6 O95382 1/20 0.44

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
SCHEMBL2210933 0.87 RET (0.63) PRNPPOLBRECQLMAPTKDR
SCHEMBL2207894 0.82 MAPT (0.65) PRNPPOLBRECQLMAPTKDR
SCHEMBL6004924 0.76 KDR (0.57) KDRAURKBAURKAMETTEK
SCHEMBL31218163 0.75 KDR (0.71) KDRAURKBAURKAMETTEK
SCHEMBL2207029 0.75 FGFR2 (0.72) MAPTKDRPDGFRBPDGFRAAXL
SCHEMBL29079695 0.74 KDR (0.60) KDRAURKBAURKAMETTEK
SCHEMBL14047121 0.74 FGFR2 (0.62) MAPTKDRAURKBAURKARET
SCHEMBL6005288 0.73 KDR (0.52) KDRAURKBAURKAMETTEK
SCHEMBL2208900 0.73 FGFR2 (0.63) MAPTKDRAURKBAURKAPDGFRA
SCHEMBL4002749 0.72 KDR (0.61) KDRAURKBAURKAMETTEK

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
US-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 US claimed