SCHEMBL9086502

SCHEMBL9086502

COc1ccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CCCN3CCOCC3)c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 9/20 0.78
PRKACG P22612 9/20 0.78
PRKACB P22694 9/20 0.78
CAMK2D Q13557 2/20 0.64
PRKD1 Q15139 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
GSK3B P49841 10/20 0.56
KDR P35968 1/20 0.56
CDK4 P11802 3/20 0.55
CCND1 P24385 3/20 0.55
CCNB2 O95067 2/20 0.55
CDK1 P06493 2/20 0.55
CCNB1 P14635 2/20 0.55
CCNB3 Q8WWL7 2/20 0.55
MEN1 O00255 1/20 0.55
PRKD3 O94806 1/20 0.55
CCNE2 O96020 1/20 0.55
TP53 P04637 1/20 0.55
PRKCG P05129 1/20 0.55
CYP1A2 P05177 1/20 0.55

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
SCHEMBL7815598 0.94 PRKACA (0.78) PRKACAPRKACGPRKACBCAMK2DPRKD1
SCHEMBL7824077 0.92 PRKACA (0.78) PRKACAPRKACGPRKACBCAMK2DPRKD1
SCHEMBL9087017 0.92 PRKACA (0.66) PRKACAPRKACGPRKACBCAMK2DPRKD1
SCHEMBL9087350 0.89 PRKACA (0.77) PRKACAPRKACGPRKACBCAMK2DPRKD1
SCHEMBL9087909 0.89 PRKACA (0.82) PRKACAPRKACGPRKACBCAMK2DPRKD1
SCHEMBL9085106 0.89 PRKACA (0.73) PRKACAPRKACGPRKACBCAMK2DPRKD1
SCHEMBL7824089 0.88 PRKACA (1.00) PRKACAPRKACGPRKACBCAMK2DPRKD1
SCHEMBL9086712 0.88 PRKACA (0.79) PRKACAPRKACGPRKACBCAMK2DPRKD1
SCHEMBL9088306 0.88 PRKACA (0.79) PRKACAPRKACGPRKACBCAMK2DPRKD1
SCHEMBL9085380 0.88 PRKACA (0.82) PRKACAPRKACGPRKACBCAMK2DPRKD1

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