SCHEMBL5758398

SCHEMBL5758398

CN(C)CCCn1nc(C2=C(c3cn(-c4cccc(-c5ccsc5)c4)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 15/20 0.74
PRKCB P05771 14/20 0.74
GSK3B P49841 13/20 0.74
PRKCG P05129 12/20 0.74
PRKCD Q05655 8/20 0.70
KCNH2 Q12809 7/20 0.70
PRKCZ Q05513 3/20 0.70
KISS1R Q969F8 1/20 0.51
PRKCH P24723 2/20 0.45
PRKCQ Q04759 2/20 0.45
PRKCE Q02156 1/20 0.45
KDR P35968 1/20 0.45
PIM1 P11309 1/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
FLT3 P36888 1/20 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
SCHEMBL3779553 0.92 PRKCA (0.85) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5758082 0.89 PRKCA (0.81) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5814373 0.86 PRKCA (1.00) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5755667 0.85 PRKCA (0.82) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL3774124 0.83 PRKCA (1.00) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL13013272 0.82 GSK3B (1.00) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL3774803 0.82 PRKCA (1.00) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5756774 0.82 GSK3B (0.88) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL3774763 0.81 PRKCA (0.85) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5759641 0.80 PRKCA (0.95) 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