SCHEMBL8712866

SCHEMBL8712866

Sc1[nH]ccc1-c1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.45
MTOR P42345 1/20 0.45
ADK P55263 1/20 0.45
CSNK1A1 P48729 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ADRA2A P08913 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
IDO1 P14902 1/20 0.35
ADRA1A P35348 1/20 0.35
PDE4A P27815 1/20 0.34

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
SCHEMBL630849 0.73 NISCH (0.53) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL9287236 0.73 NISCH (0.64) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL30873581 0.72 NISCH (0.52) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL14886257 0.71 NISCH (0.61) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL28654223 0.71 NISCH (0.50) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL26259955 0.71 NISCH (0.61) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL81650 0.71 NISCH (0.59) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL1783894 0.71 NISCH (0.41) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL7979075 0.71 NISCH (0.50) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL26259965 0.70 NISCH (0.54) NISCHMTORADKCSNK1A1TYRO3

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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed