SCHEMBL12801709

SCHEMBL12801709

Nc1cccc(-c2ccnc(Nc3cccc(Cl)c3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 6/20 1.00
ABL1 P00519 3/20 0.71
BCR P11274 3/20 0.71
PRKCA P17252 1/20 0.71
PRKCD Q05655 1/20 0.71
PLK1 P53350 2/20 0.68
SRC P12931 2/20 0.67
EGFR P00533 1/20 0.67
PRKACA P17612 1/20 0.67
PRKACG P22612 1/20 0.67
PRKACB P22694 1/20 0.67
CSNK2A1 P68400 1/20 0.64
CDK5 Q00535 3/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
CDK5R1 Q15078 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
CDK2 P24941 3/20 0.58
CDK1 P06493 2/20 0.58

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
SCHEMBL823915 0.91 CAMK2D (0.82) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL5732902 0.87 CAMK2D (0.77) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL27444270 0.87 PLK1 (0.78) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL2945644 0.85 PLK1 (0.79) CAMK2DABL1BCRPLK1SRC
SCHEMBL12275705 0.85 CAMK2D (0.73) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL3513778 0.84 CAMK2D (0.73) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL12801287 0.84 PLK1 (0.82) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL4386919 0.84 ABL1 (0.82) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL14651462 0.84 PLK1 (0.84) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL5733933 0.83 CAMK2D (0.71) CAMK2DABL1BCRPRKCAPRKCD

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
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed