SCHEMBL18636729

SCHEMBL18636729

CC(C)Nc1cc(N2CC(NC(=O)OC(C)(C)C)C2)nc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.55
AURKA O14965 6/20 0.49
PDPK1 O15530 6/20 0.49
AURKB Q96GD4 6/20 0.49
BTK Q06187 2/20 0.45
JAK3 P52333 1/20 0.45
MAP4K4 O95819 2/20 0.44
HRH3 Q9Y5N1 2/20 0.42
PDE10A Q9Y233 1/20 0.42
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40

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
SCHEMBL18636734 0.83 LMNA (0.53) HRH4AURKAPDPK1AURKBBTK
SCHEMBL18636586 0.83 HRH4 (0.54) HRH4AURKAPDPK1AURKBBTK
SCHEMBL18636769 0.82 HRH4 (0.69) HRH4AURKAPDPK1AURKBBTK
SCHEMBL12604979 0.81 HRH4 (0.48) HRH4AURKAPDPK1AURKBJAK3
SCHEMBL12605055 0.78 HRH4 (0.81) HRH4HRH3
SCHEMBL14428134 0.76 AURKA (0.52) AURKAPDPK1AURKBBTKJAK3
SCHEMBL26349780 0.76 AURKA (0.63) HRH4AURKAPDPK1AURKBBTK
SCHEMBL26349862 0.76 AURKA (0.63) HRH4AURKAPDPK1AURKBBTK
SCHEMBL12118769 0.76 AURKA (0.63) AURKAPDPK1AURKBBTKJAK3
SCHEMBL16977369 0.76 AURKA (0.63) AURKAPDPK1AURKBBTKJAK3

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-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed