SCHEMBL857150

SCHEMBL857150

CN1CCN(c2ccc(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 15/20 0.72
PRKCH P24723 14/20 0.72
PRKCD Q05655 14/20 0.72
PRKCA P17252 14/20 0.72
PRKCE Q02156 12/20 0.72
PRKCB P05771 12/20 0.72
JAK3 P52333 7/20 0.64
JAK1 P23458 6/20 0.64
GSK3B P49841 2/20 0.64
PDPK1 O15530 1/20 0.64
DYRK3 O43781 1/20 0.64
PRKD3 O94806 1/20 0.64
MAP4K4 O95819 1/20 0.64
ABL1 P00519 1/20 0.64
EGFR P00533 1/20 0.64
ERBB2 P04626 1/20 0.64
PRKCG P05129 1/20 0.64
FYN P06241 1/20 0.64
CDK1 P06493 1/20 0.64
CYP3A4 P08684 1/20 0.64

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
SCHEMBL4906489 0.85 JAK3 (0.82) PRKCQPRKCHPRKCDPRKCAPRKCE
SCHEMBL4380148 0.84 PRKCH (1.00) PRKCQPRKCHPRKCDPRKCAPRKCE
SCHEMBL990717 0.83 PRKCA (0.66) PRKCQPRKCHPRKCDPRKCAPRKCE
SCHEMBL21583796 0.82 JAK3 (0.81) PRKCQPRKCHPRKCDPRKCAPRKCE
SCHEMBL5460152 0.78 PRKCA (0.68) PRKCQPRKCHPRKCDPRKCAPRKCE
Sotrastaurin SCHEMBL29364923 0.78 PRKCH (1.00) PRKCQPRKCHPRKCDPRKCAPRKCE
Sotrastaurin SCHEMBL2500835 0.78 PRKCH (1.00) PRKCQPRKCHPRKCDPRKCAPRKCE
Sotrastaurin SCHEMBL29526075 0.78 PRKCH (1.00) PRKCQPRKCHPRKCDPRKCAPRKCE
SCHEMBL4377883 0.78 PRKCH (1.00) PRKCQPRKCHPRKCDPRKCAPRKCE
SCHEMBL989017 0.76 PRKCA (0.66) PRKCQPRKCHPRKCDPRKCAPRKCE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820672-B2 3-[5-chloro-6-methyl-2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-4-( 1H-indol-3-yl)-pyrrole-2,5-dione; T lymphocytes, Protein Kinase C (PKC) and glycogen synthase kinase 3 beta (GSK3B) mediated diseases; NOVARTIS AG (CH) 2010-10-26 US claimed
EP-2075249-B1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2012-03-28 EP disclosed
US-7820672-B2 3-[5-chloro-6-methyl-2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-4-( 1H-indol-3-yl)-pyrrole-2,5-dione; T lymphocytes, Protein Kinase C (PKC) and glycogen synthase kinase 3 beta (GSK3B) mediated diseases; NOVARTIS AG (CH) 2010-10-26 US disclosed
US-7820672-B2 3-[5-chloro-6-methyl-2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-4-( 1H-indol-3-yl)-pyrrole-2,5-dione; T lymphocytes, Protein Kinase C (PKC) and glycogen synthase kinase 3 beta (GSK3B) mediated diseases; NOVARTIS AG (CH) 2010-10-26 US disclosed
EP-1597250-B1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2010-04-07 EP disclosed
EP-1597250-B1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2010-04-07 EP disclosed
JP-2009280592-A INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG 2009-12-03 JP disclosed
EP-2075249-A2 Indolylmaleimide derivatives Novartis AG (CH) 2009-07-01 EP disclosed
EP-2075249-A2 Indolylmaleimide derivatives Novartis AG (CH) 2009-07-01 EP disclosed
WO-2004072062-A2 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2004-08-26 WO disclosed