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SCHEMBL18636769

SCHEMBL18636769

CC(C)(C)CCNc1cc(N2CC(NC(=O)OC(C)(C)C)C2)nc(N)n1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 8/20 0.69
▸ AURKA O14965 6/20 0.47
▸ PDPK1 O15530 6/20 0.47
▸ AURKB Q96GD4 6/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MAP4K4 O95819 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ BTK Q06187 2/20 0.39
▸ JAK3 P52333 1/20 0.39

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
SCHEMBL18636586 0.84 HRH4 (0.54) HRH4AURKAPDPK1AURKBHRH3
SCHEMBL18636729 0.82 HRH4 (0.55) HRH4AURKAPDPK1AURKBHRH3
SCHEMBL12604980 0.82 HRH4 (0.60) HRH4AURKAPDPK1AURKBHRH3
SCHEMBL12605057 0.82 HRH4 (1.00) HRH4HRH3KCNH2
SCHEMBL18636734 0.81 LMNA (0.53) HRH4AURKAPDPK1AURKBHRH3
SCHEMBL18636737 0.79 HRH4 (0.78) HRH4HRH3KCNH2
SCHEMBL1773997 0.78 HRH4 (0.65) HRH4HRH3KCNH2
SCHEMBL1773999 0.78 HRH4 (0.65) HRH4AURKAPDPK1AURKBHRH3
SCHEMBL18636601 0.77 HRH4 (0.54) HRH4AURKAPDPK1AURKBHRH3
SCHEMBL12604978 0.77 HRH4 (0.54) HRH4AURKAPDPK1AURKBHRH3

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