SCHEMBL9086754

SCHEMBL9086754

CCOCC(O)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 10/20 0.50
PRKACG P22612 10/20 0.50
PRKACB P22694 10/20 0.50
CCNB2 O95067 3/20 0.50
CDK1 P06493 3/20 0.50
CCNB1 P14635 3/20 0.50
CCNB3 Q8WWL7 3/20 0.50
CDK4 P11802 6/20 0.49
CCND1 P24385 6/20 0.49
CCNE2 O96020 4/20 0.47
CCNE1 P24864 4/20 0.47
CDK2 P24941 4/20 0.47
PRKCB P05771 2/20 0.47
PRKCA P17252 2/20 0.47
PRKD1 Q15139 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
SIRT2 Q8IXJ6 2/20 0.47
MEN1 O00255 1/20 0.47
PRKD3 O94806 1/20 0.47
TP53 P04637 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
SCHEMBL9084176 0.94 PRKACA (0.50) PRKACAPRKACGPRKACBCCNB2CDK1
SCHEMBL9084775 0.89 PRKACA (0.55) PRKACAPRKACGPRKACBCCNB2CDK1
SCHEMBL9085751 0.88 PRKACA (0.53) PRKACAPRKACGPRKACBCCNB2CDK1
SCHEMBL9085211 0.88 PRKACA (0.53) PRKACAPRKACGPRKACBCCNB2CDK1
SCHEMBL9086510 0.88 CDK4 (0.56) PRKACAPRKACGPRKACBCCNB2CDK1
SCHEMBL7815817 0.88 PRKACA (0.63) PRKACAPRKACGPRKACBCCNB2CDK1
SCHEMBL9086641 0.88 CAMK2D (0.45) PRKACAPRKACGPRKACBCCNB2CDK1
SCHEMBL9087050 0.88 CDK4 (0.55) PRKACAPRKACGPRKACBCCNB2CDK1
SCHEMBL9087152 0.88 PRKACA (0.52) PRKACAPRKACGPRKACBCCNB2CDK1
SCHEMBL9085265 0.88 PRKACA (0.52) PRKACAPRKACGPRKACBCCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516915-A Bis-(1H-indol-3-yl)-maleinimide derivatives, processes for the preparation thereof and pharmaceutical compositions containing them GOEDECKE AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed
US-5380746-A Bis-(1H-indol-3-YL)-maleinimide derivatives, processes for the preparation thereof and pharmaceutical compositions containing them GOEDECKE AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
EP-0397060-A2 Maleinimide derivatives and their use as medicines GÖDECKE AKTIENGESELLSCHAFT (DE) 1990-11-14 EP disclosed