SCHEMBL9085231

SCHEMBL9085231

N=C(N)SCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2cc(Br)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 5/20 0.65
PRKCB P05771 4/20 0.63
PRKCA P17252 4/20 0.63
PRKCE Q02156 4/20 0.63
PRKD1 Q15139 4/20 0.63
TDP1 Q9NUW8 4/20 0.63
PRKD3 O94806 3/20 0.63
PRKCG P05129 3/20 0.63
PRKCH P24723 3/20 0.63
PRKCI P41743 3/20 0.63
PRKCQ Q04759 3/20 0.63
PRKCZ Q05513 3/20 0.63
PRKCD Q05655 3/20 0.63
MEN1 O00255 3/20 0.63
TP53 P04637 3/20 0.63
CYP3A4 P08684 3/20 0.63
MAPT P10636 3/20 0.63
TSHR P16473 3/20 0.63
MAPK1 P28482 3/20 0.63
RECQL P46063 3/20 0.63

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
SCHEMBL9085077 0.94 CAMK2D (0.65) CAMK2DPRKCBPRKCAPRKCEPRKD1
SCHEMBL9084298 0.93 PRKCB (0.63) CAMK2DPRKCBPRKCAPRKCEPRKD1
SCHEMBL9084332 0.92 PRKCB (0.65) CAMK2DPRKCBPRKCAPRKCEPRKD1
SCHEMBL9086035 0.91 PRKCB (0.64) CAMK2DPRKCBPRKCAPRKCEPRKD1
SCHEMBL9088345 0.90 PRKCB (0.76) CAMK2DPRKCBPRKCAPRKCEPRKD1
SCHEMBL9087327 0.90 PRKCB (0.63) CAMK2DPRKCBPRKCAPRKCEPRKD1
SCHEMBL9088687 0.90 TDP1 (0.65) CAMK2DPRKCBPRKCAPRKCEPRKD1
SCHEMBL9086927 0.90 PRKCB (0.63) CAMK2DPRKCBPRKCAPRKCEPRKD1
SCHEMBL9087284 0.89 TDP1 (0.63) CAMK2DPRKCBPRKCAPRKCEPRKD1
SCHEMBL9087068 0.88 TDP1 (0.71) CAMK2DPRKCBPRKCAPRKCEPRKD1

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