SCHEMBL5657228

SCHEMBL5657228

CN(C)CCCn1nc(C2=C(c3cc4ccccc4n3-c3cccs3)CNC2=O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 14/20 0.57
PRKCA P17252 14/20 0.57
GSK3B P49841 13/20 0.57
PRKCG P05129 12/20 0.57
PRKCD Q05655 8/20 0.57
KCNH2 Q12809 7/20 0.47
PRKCZ Q05513 3/20 0.47
MYLK Q15746 2/20 0.37
PRKCH P24723 2/20 0.35
PRKCQ Q04759 2/20 0.35
CAMK2D Q13557 1/20 0.34
KISS1R Q969F8 1/20 0.33
PRKCE Q02156 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL3774999 0.83 GSK3B (0.77) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL3772597 0.80 PRKCA (0.77) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL3774803 0.73 PRKCA (1.00) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL3784374 0.72 PRKCA (0.76) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL5757963 0.70 PRKCA (0.85) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL3779552 0.68 GSK3B (0.78) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL1991771 0.66 PRKCA (0.65) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL3773391 0.66 PRKCA (0.73) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL1993520 0.65 PRKCA (0.64) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL3775416 0.65 GSK3B (0.79) PRKCBPRKCAGSK3BPRKCGPRKCD

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
US-7304060-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-12-04 US disclosed