SCHEMBL9087451

SCHEMBL9087451

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 13/20 0.82
PRKACG P22612 13/20 0.82
PRKACB P22694 13/20 0.82
CDK4 P11802 4/20 0.82
CCND1 P24385 4/20 0.82
PRKCA P17252 4/20 0.82
PRKCB P05771 3/20 0.82
PRKCH P24723 3/20 0.82
PRKCQ Q04759 3/20 0.82
PRKCD Q05655 3/20 0.82
PRKD1 Q15139 2/20 0.82
TDP1 Q9NUW8 2/20 0.82
PIM1 P11309 2/20 0.82
PRKCE Q02156 2/20 0.82
CCNE2 O96020 2/20 0.82
CCNE1 P24864 2/20 0.82
CDK2 P24941 2/20 0.82
GSK3B P49841 2/20 0.82
CCNB2 O95067 2/20 0.82
CDK1 P06493 2/20 0.82

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
SCHEMBL9084351 0.94 PRKACA (0.72) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9084087 0.94 PRKACA (0.81) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9083061 0.92 PRKACA (0.81) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9087576 0.91 PRKACA (0.77) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9086987 0.91 PRKACA (0.77) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9086320 0.91 PRKACA (0.82) PRKACAPRKACGPRKACBCDK4CCND1
Gf-109203 SCHEMBL29353725 0.90 PRKACA (1.00) PRKACAPRKACGPRKACBCDK4CCND1
Gf-109203 SCHEMBL338086 0.90 PRKACA (1.00) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9087353 0.90 PRKACA (0.81) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9088590 0.90 PRKACA (0.81) PRKACAPRKACGPRKACBCDK4CCND1

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