SCHEMBL5758306

SCHEMBL5758306

C=Cn1cc(C2=C(c3nn(CCCN(C)C)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 1.00
PRKCA P17252 14/20 1.00
PRKCB P05771 13/20 1.00
PRKCG P05129 11/20 1.00
PRKCD Q05655 9/20 0.70
KCNH2 Q12809 6/20 0.70
PRKCZ Q05513 4/20 0.70
PRKACA P17612 3/20 0.54
PRKACG P22612 3/20 0.54
PRKACB P22694 3/20 0.54
PIM1 P11309 2/20 0.54
PRKCH P24723 3/20 0.52
PRKCQ Q04759 3/20 0.52
PRKCE Q02156 2/20 0.50
KISS1R Q969F8 1/20 0.50
CAMK2D Q13557 1/20 0.50
MEN1 O00255 1/20 0.50
PRKD3 O94806 1/20 0.50
CCNB2 O95067 1/20 0.50
CCNE2 O96020 1/20 0.50

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
SCHEMBL3771589 0.92 PRKCA (0.84) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5758532 0.92 PRKCA (0.84) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5755677 0.89 PRKCA (0.80) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL3783864 0.89 PRKCA (0.80) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL3775416 0.88 GSK3B (0.79) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL3784374 0.86 PRKCA (0.76) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5814373 0.86 PRKCA (1.00) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5754176 0.85 PRKCA (0.75) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL3773391 0.84 PRKCA (0.73) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5756314 0.83 PRKCA (0.73) GSK3BPRKCAPRKCBPRKCGPRKCD

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-1362047-B1 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-05-17 EP disclosed