SCHEMBL4562744

SCHEMBL4562744

OCCc1cnc2[nH]ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 8/20 0.65
KDR P35968 3/20 0.61
FGFR1 P11362 1/20 0.61
RIPK1 Q13546 4/20 0.49
AXL P30530 2/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
ABL1 P00519 1/20 0.43
NUDT1 P36639 1/20 0.42
FEN1 P39748 1/20 0.41
CDK7 P50613 2/20 0.41
MAP4K4 O95819 2/20 0.41
CHEK2 O96017 2/20 0.41
CDK1 P06493 2/20 0.41
FES P07332 2/20 0.41
ROS1 P08922 2/20 0.41
FER P16591 2/20 0.41
FLT4 P35916 2/20 0.41

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
SCHEMBL3348784 0.86 CDK8 (0.63) CDK8KDRFGFR1RIPK1AXL
SCHEMBL11990128 0.83 KDR (0.66) CDK8KDRFGFR1RIPK1AXL
SCHEMBL299515 0.81 KDR (0.56) CDK8KDRFGFR1RIPK1AXL
SCHEMBL19891723 0.80 KDR (0.62) CDK8KDRFGFR1RIPK1AXL
SCHEMBL3263731 0.79 KDR (0.61) CDK8KDRFGFR1RIPK1AXL
SCHEMBL24240780 0.79 KDR (0.56) CDK8KDRFGFR1RIPK1AXL
SCHEMBL91324 0.79 KDR (0.60) CDK8KDRFGFR1RIPK1AXL
SCHEMBL1869919 0.79 CDK8 (0.63) CDK8KDRFGFR1RIPK1AXL
SCHEMBL11968468 0.79 KDR (0.56) CDK8KDRFGFR1RIPK1AXL
SCHEMBL29858603 0.79 KDR (0.60) CDK8KDRFGFR1RIPK1AXL

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
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 WO disclosed