SCHEMBL5758690

SCHEMBL5758690

CC(C)n1cc(C2=C(c3nn(CCCN(C)C)c4ccccc34)C(=O)NC2=O)c2cc(Cl)ccc21

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 14/20 0.63
PRKCB P05771 13/20 0.63
GSK3B P49841 12/20 0.63
PRKCG P05129 10/20 0.63
PRKCD Q05655 8/20 0.60
KCNH2 Q12809 5/20 0.60
PRKCZ Q05513 3/20 0.60
IDH1 O75874 1/20 0.48
PRKCE Q02156 2/20 0.47
PRKACA P17612 2/20 0.47
PRKACG P22612 2/20 0.47
PRKACB P22694 2/20 0.47
PIM1 P11309 1/20 0.47
CAMK2D Q13557 1/20 0.45
PRKCH P24723 2/20 0.45
PRKCQ Q04759 2/20 0.45

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
SCHEMBL5757844 0.90 GSK3B (0.67) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL3779533 0.88 PRKCA (0.64) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL3771437 0.87 PRKCA (0.84) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL3771589 0.86 PRKCA (0.84) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5754128 0.83 PRKCA (0.85) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5757963 0.83 PRKCA (0.85) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5758532 0.83 PRKCA (0.84) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL3770811 0.83 PRKCA (0.66) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5758674 0.82 CAMK2D (0.63) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL3775909 0.81 GSK3B (0.56) PRKCAPRKCBGSK3BPRKCGPRKCD

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