SCHEMBL9088729

SCHEMBL9088729

CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(OCc3ccccc3)cc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 10/20 0.72
PRKACG P22612 10/20 0.72
PRKACB P22694 10/20 0.72
PRKCA P17252 6/20 0.72
PRKCB P05771 5/20 0.72
PRKCH P24723 4/20 0.72
PRKCQ Q04759 4/20 0.72
PRKCD Q05655 4/20 0.72
PRKCE Q02156 4/20 0.72
CDK4 P11802 3/20 0.72
CCND1 P24385 3/20 0.72
CCNB2 O95067 3/20 0.72
CDK1 P06493 3/20 0.72
CCNB1 P14635 3/20 0.72
CCNB3 Q8WWL7 3/20 0.72
PRKD1 Q15139 2/20 0.72
TDP1 Q9NUW8 2/20 0.72
PIM1 P11309 2/20 0.72
GSK3B P49841 2/20 0.72
MEN1 O00255 1/20 0.72

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
SCHEMBL9086464 0.95 PRKACA (0.64) PRKACAPRKACGPRKACBPRKCAPRKCB
SCHEMBL7823686 0.94 PRKD1 (0.80) PRKACAPRKACGPRKACBPRKCAPRKCB
SCHEMBL9086954 0.92 PRKACA (0.60) PRKACAPRKACGPRKACBPRKCAPRKCB
SCHEMBL7824020 0.92 PRKACA (0.72) PRKACAPRKACGPRKACBPRKCAPRKCB
SCHEMBL9087584 0.89 PRKD1 (0.73) PRKACAPRKACGPRKACBPRKCAPRKCB
SCHEMBL9086728 0.89 PRKACA (0.70) PRKACAPRKACGPRKACBPRKCAPRKCB
SCHEMBL9086146 0.89 CAMK2D (0.70) PRKACAPRKACGPRKACBPRKCAPRKCB
SCHEMBL9086159 0.89 PRKD1 (0.87) PRKACAPRKACGPRKACBPRKCAPRKCB
SCHEMBL9086227 0.89 PRKACA (0.72) PRKACAPRKACGPRKACBPRKCAPRKCB
SCHEMBL9085794 0.89 PRKACA (0.55) PRKACAPRKACGPRKACBPRKCAPRKCB

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