SCHEMBL5758656

SCHEMBL5758656

CN(C)CCCCn1nc(C2=C(c3cn(-c4csc5ccccc45)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.95

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 16/20 0.95
PRKCB P05771 15/20 0.95
GSK3B P49841 13/20 0.95
PRKCG P05129 12/20 0.95
PRKCD Q05655 8/20 0.95
KISS1R Q969F8 1/20 0.79
KCNH2 Q12809 7/20 0.68
PRKCZ Q05513 3/20 0.65
PRKCE Q02156 2/20 0.57
PRKCH P24723 2/20 0.57
PRKCQ Q04759 2/20 0.57
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
CAMK2D Q13557 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
SCHEMBL3773926 0.97 PRKCA (1.00) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5793514 0.94 PRKCA (0.90) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5754471 0.89 KISS1R (0.82) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL3785953 0.88 KISS1R (1.00) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5758093 0.86 KISS1R (0.81) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL19751910 0.86 KISS1R (0.83) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5755705 0.84 PRKCA (0.82) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL13580118 0.83 KISS1R (0.78) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL3779530 0.83 PRKCA (1.00) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5753669 0.83 KISS1R (0.72) 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