Sotrastaurin

Sotrastaurin

SCHEMBL3846239

CC(=O)O.CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1

nearest known ligand 0.93

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3

The experimentally established mechanism targets of Sotrastaurin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCH known ✓ P24723 20/20 0.93
PRKCQ known ✓ Q04759 20/20 0.93
PRKCD known ✓ Q05655 20/20 0.93
PRKCA known ✓ P17252 19/20 0.93
PRKCB known ✓ P05771 18/20 0.93
PRKCE known ✓ Q02156 17/20 0.93
PRKD3 known ✓ O94806 2/20 0.93
PRKCG known ✓ P05129 1/20 0.93
PRKCI known ✓ P41743 1/20 0.93
PRKCZ known ✓ Q05513 1/20 0.93
MAP4K4 O95819 2/20 0.93
PIM1 P11309 2/20 0.93
MARK3 P27448 2/20 0.93
LTK P29376 2/20 0.93
GRK5 P34947 2/20 0.93
KDR P35968 2/20 0.93
GSK3A P49840 2/20 0.93
RPS6KA3 P51812 2/20 0.93
JAK3 P52333 2/20 0.93
CDK5 Q00535 2/20 0.93

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
Sotrastaurin SCHEMBL29412439 1.00 PRKCH (0.93) PRKCHPRKCQPRKCDPRKCAPRKCB
Sotrastaurin SCHEMBL29364923 0.96 PRKCH (1.00) PRKCHPRKCQPRKCDPRKCAPRKCB
Sotrastaurin SCHEMBL2500835 0.96 PRKCH (1.00) PRKCHPRKCQPRKCDPRKCAPRKCB
Sotrastaurin SCHEMBL29526075 0.96 PRKCH (1.00) PRKCHPRKCQPRKCDPRKCAPRKCB
SCHEMBL2493700 0.85 PRKCH (1.00) PRKCHPRKCQPRKCDPRKCAPRKCB
SCHEMBL31647944 0.85 PRKCH (1.00) PRKCHPRKCQPRKCDPRKCAPRKCB
SCHEMBL14486643 0.84 PRKCH (0.79) PRKCHPRKCQPRKCDPRKCAPRKCB
SCHEMBL1994301 0.84 PRKCH (0.78) PRKCHPRKCQPRKCDPRKCAPRKCB
SCHEMBL4905416 0.83 PRKCH (0.76) PRKCHPRKCQPRKCDPRKCAPRKCB
Sotrastaurin SCHEMBL26184899 0.83 PRKCH (0.73) PRKCHPRKCQPRKCDPRKCAPRKCB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102195-A1 CRYSTAL MODIFICATIONS -3- (1H-IND0L-3-YL) -4- [2- (4-METHYL-PIPERAZIN-1-YL) -QUINAZOLIN-4-YL]-PYRROLE-2, 5-D IONE Novartis AG (CH) 2009-09-23 EP disclosed
WO-2008051440-A1 CRYSTAL MODIFICATIONS -3- (1H-IND0L-3-YL) -4- [2- (4-METHYL-PIPERAZIN-1-YL) -QUINAZOLIN-4-YL] -PYRROLE-2, 5-D IONE NOVARTIS AG (CH) 2008-05-02 WO disclosed