SCHEMBL5757844

SCHEMBL5757844

CN(C)CCCn1nc(C2=C(c3cn(C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.67
PRKCA P17252 10/20 0.67
PRKCG P05129 9/20 0.67
PRKCB P05771 9/20 0.67
PRKCD Q05655 6/20 0.63
KCNH2 Q12809 4/20 0.63
PRKCZ Q05513 3/20 0.63
PIM1 P11309 1/20 0.59
PRKACA P17612 1/20 0.59
PRKACG P22612 1/20 0.59
PRKACB P22694 1/20 0.59
GSK3A P49840 2/20 0.54
MEN1 O00255 1/20 0.54
RGS12 O14924 1/20 0.54
GMNN O75496 1/20 0.54
USP2 O75604 1/20 0.54
CCNB2 O95067 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54

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
SCHEMBL3775909 0.91 GSK3B (0.56) GSK3BPRKCAPRKCGPRKCBPRKCD
SCHEMBL3775416 0.91 GSK3B (0.79) GSK3BPRKCAPRKCGPRKCBPRKCD
SCHEMBL3779533 0.91 PRKCA (0.64) GSK3BPRKCAPRKCGPRKCBPRKCD
SCHEMBL5756137 0.90 GSK3B (0.57) GSK3BPRKCAPRKCGPRKCBPRKCD
SCHEMBL3771437 0.90 PRKCA (0.84) GSK3BPRKCAPRKCGPRKCBPRKCD
SCHEMBL5758690 0.90 PRKCA (0.63) GSK3BPRKCAPRKCGPRKCBPRKCD
SCHEMBL3781580 0.89 GSK3B (0.66) GSK3BPRKCAPRKCGPRKCBGSK3A
SCHEMBL3771589 0.89 PRKCA (0.84) GSK3BPRKCAPRKCGPRKCBPRKCD
SCHEMBL5752565 0.88 GSK3B (0.54) GSK3BPRKCAPRKCGPRKCBPRKCD
SCHEMBL5754128 0.86 PRKCA (0.85) GSK3BPRKCAPRKCGPRKCBPRKCD

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