SCHEMBL3767684

SCHEMBL3767684

C#Cc1c(C=O)cccc1-c1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.41
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
NISCH Q9Y2I1 2/20 0.37
MTOR P42345 1/20 0.37
ADK P55263 1/20 0.37
IDO1 P14902 1/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
ADRA1A P35348 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MC4R P32245 1/20 0.32
TLK2 Q86UE8 1/20 0.30
VCP P55072 1/20 0.30
CASP6 P55212 1/20 0.30
ADRA2A P08913 1/20 0.30

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
SCHEMBL1663671 0.80 CSNK1A1 (0.53) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL38662055 0.80 CSNK1A1 (0.53) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL3767683 0.77 NISCH (0.37) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL27987378 0.74 CSNK1A1 (0.50) CSNK1A1TYRO3DYRK1BNISCHMTOR
Alcohol SCHEMBL28226404 0.72 CSNK1A1 (0.49) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL31574357 0.72 KMT2A (0.50) KMT2AALDH1A1MEN1TRIM24TRIM33
SCHEMBL3765766 0.71
SCHEMBL8543220 0.70 CSNK1A1 (0.49) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL26259965 0.69 NISCH (0.54) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL9287236 0.68 NISCH (0.64) CSNK1A1TYRO3DYRK1BNISCHMTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193132-A2 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2010-06-09 EP disclosed
WO-2009004382-A2 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2009-01-08 WO disclosed