SCHEMBL18655336

SCHEMBL18655336

COc1cc(C2=C(c3cn(CCCNC(=O)C(C)CC(C)C)c4ccccc34)C(=O)NC2=O)cc(OC)c1OC

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.86
FLT3 P36888 7/20 0.71
KDR P35968 11/20 0.69
QPCT Q16769 1/20 0.51
CAMK2D Q13557 3/20 0.49
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
SRC P12931 1/20 0.47
FLT4 P35916 1/20 0.47
TEK Q02763 1/20 0.47
PTK2 Q05397 1/20 0.47
PRKCA P17252 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
SCHEMBL18655375 0.93 GSK3B (0.79) GSK3BFLT3KDRQPCTCAMK2D
SCHEMBL10069744 0.92 GSK3B (1.00) GSK3BFLT3KDRQPCTCAMK2D
SCHEMBL9954914 0.88 GSK3B (0.87) GSK3BFLT3KDRQPCTCAMK2D
SCHEMBL18655374 0.88 GSK3B (0.87) GSK3BFLT3KDRQPCTPLK4
SCHEMBL10070566 0.87 GSK3B (0.75) GSK3BFLT3KDRQPCTCAMK2D
SCHEMBL18655376 0.85 GSK3B (0.76) GSK3BFLT3KDRQPCTPLK4
SCHEMBL18655372 0.84 GSK3B (0.80) GSK3BFLT3KDRQPCTCAMK2D
SCHEMBL9955798 0.83 GSK3B (1.00) GSK3BFLT3KDRQPCTCAMK2D
SCHEMBL10070111 0.82 GSK3B (0.68) GSK3BFLT3KDRQPCTCAMK2D
SCHEMBL18628480 0.82 GSK3B (0.68) GSK3BFLT3KDRQPCTCAMK2D

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-2655359-B1 CONJUGATED 3-(INDOLYL)- AND 3-(AZAINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT Johannes-Gutenberg-Universität Mainz (DE) 2017-03-22 EP disclosed