SCHEMBL14735752

SCHEMBL14735752

CC(C)(C)Nc1ncnc2[nH]nc(-c3ccc(Cl)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.44
MAP2K2 P36507 2/20 0.44
MAPK8 P45983 2/20 0.44
CDK8 P49336 2/20 0.44
CDK5 Q00535 2/20 0.44
MAP2K1 Q02750 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
NTRK1 P04629 1/20 0.44
LTK P29376 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
RPS6KA3 P51812 1/20 0.44
PRKCQ Q04759 1/20 0.44
MST1R Q04912 1/20 0.44
PTK2 Q05397 1/20 0.44
MAP4K2 Q12851 1/20 0.44

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
SCHEMBL6246461 0.88 PRKD3 (0.45) PRKACAMAP2K2MAPK8CDK8CDK5
SCHEMBL8318622 0.78 SRC (0.44) PRKACAMAP2K2MAPK8CDK8CDK5
SCHEMBL6686751 0.77 EGFR (0.52) CLK4MAP4K4CLK2MAP4K2DYRK1A
SCHEMBL3715031 0.77 SRC (0.57) PRKACAMAP2K2MAPK8CDK8CDK5
SCHEMBL6682618 0.75 EGFR (0.49) PRKACACLK4MAP4K4CLK2GSK3B
SCHEMBL3711760 0.69 MAPT (0.51) PRKACAMAP2K2MAPK8CDK8CDK5
SCHEMBL13020417 0.69 MAPT (0.51) PRKACAMAP2K2MAPK8CDK8CDK5
SCHEMBL3711762 0.69 MAPT (0.51) PRKACAMAP2K2MAPK8CDK8CDK5
SCHEMBL13020071 0.69 MAPT (0.48) ALDH1A1SRCSMN1; SMN2EGFRMAPT
SCHEMBL1270136 0.69 CNR1 (0.44) PRKACAMAP2K2MAPK8CDK8CDK5

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-2275413-B1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-03-06 EP disclosed