SCHEMBL5756779

SCHEMBL5756779

CN(C)CCCn1nc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 5/20 0.77
GSK3B P49841 12/20 0.68
PRKCG P05129 11/20 0.68
PRKCB P05771 11/20 0.68
PRKCA P17252 11/20 0.68
PRKCD Q05655 8/20 0.68
KCNH2 Q12809 5/20 0.68
PRKCZ Q05513 5/20 0.68
PRKACA P17612 4/20 0.68
PRKACG P22612 4/20 0.68
PRKACB P22694 4/20 0.68
PRKD1 Q15139 3/20 0.68
CCNE2 O96020 3/20 0.68
CDK4 P11802 3/20 0.68
CCND1 P24385 3/20 0.68
CCNE1 P24864 3/20 0.68
CDK2 P24941 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
PRKD3 O94806 2/20 0.68
CCNB2 O95067 2/20 0.68

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
SCHEMBL5758674 0.90 CAMK2D (0.63) CAMK2DGSK3BPRKCGPRKCBPRKCA
SCHEMBL3784374 0.89 PRKCA (0.76) CAMK2DGSK3BPRKCGPRKCBPRKCA
SCHEMBL5758796 0.88 PRKCA (0.61) CAMK2DGSK3BPRKCGPRKCBPRKCA
SCHEMBL1993520 0.87 PRKCA (0.64) CAMK2DGSK3BPRKCGPRKCBPRKCA
SCHEMBL1991771 0.86 PRKCA (0.65) CAMK2DGSK3BPRKCGPRKCBPRKCA
SCHEMBL1996677 0.85 GSK3B (0.61) CAMK2DGSK3BPRKCGPRKCBPRKCA
SCHEMBL3774309 0.84 PRKCA (0.65) CAMK2DGSK3BPRKCGPRKCBPRKCA
SCHEMBL3775416 0.84 GSK3B (0.79) GSK3BPRKCGPRKCBPRKCAPRKCD
SCHEMBL1992099 0.83 PRKCA (0.62) CAMK2DGSK3BPRKCGPRKCBPRKCA
SCHEMBL5758314 0.82 CAMK2D (0.62) CAMK2DGSK3BPRKCGPRKCBPRKCA

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