SCHEMBL14023402

SCHEMBL14023402

Oc1cccc(-c2ccnc(Nc3cccc(I)c3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.59
SYK P43405 2/20 0.56
CAMK2D Q13557 2/20 0.53
CDK4 P11802 2/20 0.53
CDK2 P24941 2/20 0.53
ABL1 P00519 7/20 0.51
BCR P11274 7/20 0.51
SRC P12931 4/20 0.51
PRKCA P17252 3/20 0.51
PRKCD Q05655 2/20 0.51
EGFR P00533 1/20 0.51
PRKACA P17612 1/20 0.51
PRKACG P22612 1/20 0.51
PRKACB P22694 1/20 0.51
MAPK8 P45983 2/20 0.51
PIK3CG P48736 2/20 0.51
GSK3B P49841 2/20 0.51
CAMKK2 Q96RR4 2/20 0.51
KDR P35968 1/20 0.50
PTK2 Q05397 1/20 0.50

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
SCHEMBL4737537 0.91 SYK (0.67) PLK1SYKCAMK2DCDK4CDK2
SCHEMBL17573428 0.89 PLK1 (0.56) PLK1SYKCAMK2DCDK4CDK2
SCHEMBL27116530 0.87 PLK1 (0.68) PLK1SYKCAMK2DCDK4CDK2
SCHEMBL14530851 0.85 PLK1 (0.75) PLK1SYKCAMK2DCDK4CDK2
SCHEMBL4732256 0.85 PLK1 (0.59) PLK1SYKCAMK2DCDK4CDK2
SCHEMBL4786087 0.84 PLK1 (0.78) PLK1SYKCAMK2DCDK4CDK2
SCHEMBL4736547 0.83 ABL1 (0.63) PLK1SYKABL1BCRSRC
SCHEMBL4735323 0.82 PLK1 (0.57) PLK1SYKCAMK2DCDK4CDK2
SCHEMBL2945644 0.82 PLK1 (0.79) PLK1SYKCAMK2DCDK4CDK2
SCHEMBL4905928 0.82 PLK1 (0.72) PLK1SYKCAMK2DCDK4CDK2

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-2008140420-A2 PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed