SCHEMBL5758075

SCHEMBL5758075

CN(C)CCn1nc2ccccc2c1C1=C(c2cn(-c3ccc4ccccc4c3)c3ccccc23)C(=O)NC1=O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 15/20 0.70
PRKCB P05771 14/20 0.70
GSK3B P49841 14/20 0.70
PRKCG P05129 12/20 0.70
KCNH2 Q12809 7/20 0.70
PRKCD Q05655 7/20 0.70
PRKCZ Q05513 3/20 0.70
PRKCH P24723 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKACA P17612 2/20 0.44
PRKACG P22612 2/20 0.44
PRKACB P22694 2/20 0.44
PIM1 P11309 1/20 0.44
KDR P35968 1/20 0.43

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
SCHEMBL5758391 0.87 GSK3B (0.90) PRKCAPRKCBGSK3BPRKCGKCNH2
SCHEMBL3774124 0.82 PRKCA (1.00) PRKCAPRKCBGSK3BPRKCGKCNH2
SCHEMBL5759641 0.81 PRKCA (0.95) PRKCAPRKCBGSK3BPRKCGKCNH2
SCHEMBL5759736 0.80 PRKCA (0.70) PRKCAPRKCBGSK3BPRKCGKCNH2
SCHEMBL5754952 0.79 PRKCA (0.67) PRKCAPRKCBGSK3BPRKCGKCNH2
SCHEMBL3780543 0.78 PRKCA (0.69) PRKCAPRKCBGSK3BPRKCGKCNH2
SCHEMBL5758194 0.76 GSK3B (0.88) PRKCAPRKCBGSK3BPRKCGKCNH2
SCHEMBL5790814 0.76 PRKCA (0.86) PRKCAPRKCBGSK3BPRKCGKCNH2
SCHEMBL5757630 0.76 GSK3B (0.84) PRKCAPRKCBGSK3BPRKCGKCNH2
SCHEMBL5755363 0.75 GSK3B (0.77) PRKCAPRKCBGSK3BPRKCGKCNH2

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