SCHEMBL9536683

SCHEMBL9536683

Cn1cc(C2=CC(=O)N(c3cn(CCCSC(=N)N)c4ccccc34)C2=O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 5/20 0.62
PRKCA P17252 5/20 0.62
PRKCE Q02156 5/20 0.62
PRKD3 O94806 4/20 0.62
PRKCG P05129 4/20 0.62
PRKCH P24723 4/20 0.62
PRKCI P41743 4/20 0.62
PRKCQ Q04759 4/20 0.62
PRKCZ Q05513 4/20 0.62
PRKCD Q05655 4/20 0.62
PRKD1 Q15139 4/20 0.62
CCNT1 O60563 3/20 0.62
CDK9 P50750 3/20 0.62
MEN1 O00255 2/20 0.62
TP53 P04637 2/20 0.62
CYP3A4 P08684 2/20 0.62
MAPT P10636 2/20 0.62
ALOX15 P16050 2/20 0.62
TSHR P16473 2/20 0.62
MAPK1 P28482 2/20 0.62

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
SCHEMBL8619764 0.85 CAMK2D (0.57) PRKCACCNT1CDK9PIM1RPS6KB1
SCHEMBL25282614 0.81 CAMK2D (0.57) CCNT1CDK9PIM1RPS6KB1CAMK2D
SCHEMBL8923158 0.81 GSK3B (0.47) PRKCBPRKCAPRKCECCNT1CDK9
Bisindolylmaleimide Ix SCHEMBL29370657 0.77 PRKCA (1.00) PRKCBPRKCAPRKCEPRKD3PRKCG
Bisindolylmaleimide Ix SCHEMBL1567017 0.77 PRKCA (1.00) PRKCBPRKCAPRKCEPRKD3PRKCG
SCHEMBL8653893 0.75 MEN1 (0.45) PRKCBPRKCAPRKCEPRKD3PRKCG
SCHEMBL5583029 0.74 MEN1 (0.72) PRKCBPRKCAPRKCEPRKD3PRKCG
Bisindolylmaleimide Ix SCHEMBL29381390 0.73 MEN1 (1.00) PRKCBPRKCAPRKCEPRKD3PRKCG
Bisindolylmaleimide Ix SCHEMBL2491726 0.73 MEN1 (1.00) PRKCBPRKCAPRKCEPRKD3PRKCG
SCHEMBL8166773 0.71 MEN1 (0.68) PRKCBPRKCAPRKCEPRKD3PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328026-B1 SUBSTITUTED PYRROLES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-28 EP claimed