SCHEMBL9087600

SCHEMBL9087600

O=C1NC(=O)C(c2cn(CCCO)c3ccc(OCc4ccccc4)cc23)=C1c1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 7/20 0.64
PRKACG P22612 7/20 0.64
PRKACB P22694 7/20 0.64
CDK4 P11802 3/20 0.64
CCND1 P24385 3/20 0.64
PRKD1 Q15139 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
CCNB2 O95067 3/20 0.53
CDK1 P06493 3/20 0.53
CCNB1 P14635 3/20 0.53
CCNB3 Q8WWL7 3/20 0.53
CAMK2D Q13557 4/20 0.53
GSK3B P49841 4/20 0.49
PRKCB P05771 2/20 0.49
PRKCA P17252 2/20 0.49
PRKCE Q02156 2/20 0.49
MEN1 O00255 1/20 0.49
PRKD3 O94806 1/20 0.49
CCNE2 O96020 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL9086222 0.96 PRKACA (0.70) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9086540 0.91 CAMK2D (0.64) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9083919 0.90 CAMK2D (0.57) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9087584 0.89 PRKD1 (0.73) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9085295 0.89 PRKACA (0.65) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9086728 0.89 PRKACA (0.70) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9085655 0.88 PRKD1 (0.56) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9088317 0.88 PRKD1 (0.62) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9084923 0.88 PRKACA (0.56) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9090072 0.87 PRKCB (0.55) 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