SCHEMBL28023587

SCHEMBL28023587

Cc1ccc(Nc2cc(N)ncn2)c(C)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 6/20 0.41
MKNK1 Q9BUB5 4/20 0.41
CLK4 Q9HAZ1 2/20 0.41
EIF4E P06730 1/20 0.41
STK17A Q9UEE5 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
SCN9A Q15858 1/20 0.39
SYK P43405 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK10 P53779 1/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL14614677 0.75 MKNK2 (0.43) MKNK2MKNK1CLK4EIF4ESTK17A
SCHEMBL9777679 0.74 MEN1 (0.55) CCNA2CDK2ALDH1A1MAPK10NPC1
Hydrochloric Acid SCHEMBL10587715 0.72 POLB (0.35) POLBNPC1RAB9ANUDT1KDM4E
SCHEMBL28949886 0.71 ALDH1A1 (0.54) CDK1CCNB1CCNA2CCNE1CDK2
SCHEMBL13064955 0.69 CDK5 (0.61) CLK4CDK1CCNB1CCNA2CCNE1
SCHEMBL15711333 0.69 MAPK10 (0.62) CDK1CCNB1CCNA2CCNE1CDK2
SCHEMBL7442860 0.69 RAPGEF4 (0.50) CDK1CCNB1CCNA2CCNE1CDK2
SCHEMBL31247403 0.69 SYK (0.42) MKNK2MKNK1CLK4EIF4ESTK17A
SCHEMBL31247573 0.68 KDM4E (0.57) CLK4CDK1CCNB1CCNA2CCNE1
SCHEMBL31247406 0.68 CDK1 (0.48) CLK4CDK1CCNB1CCNA2CCNE1

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
CN-103121972-B As the pyrimidine urea derivatives of kinase inhibitor NOVARTIS AG (CH) 2015-07-29 CN disclosed