SCHEMBL5622341

SCHEMBL5622341

[c]1oc2cccc(-c3ncc[nH]3)c2c1-c1nnn[nH]1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
ADRA2A P08913 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
MTOR P42345 1/20 0.31
ADK P55263 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL7140034 0.69
SCHEMBL1472570 0.68 NISCH (0.42) CSNK1A1TYRO3DYRK1BADRA2AMEN1
SCHEMBL3685297 0.67 ADRA2A (0.45) CSNK1A1TYRO3DYRK1BADRA2AMEN1
SCHEMBL3702761 0.66 ADRA2A (0.48) CSNK1A1TYRO3DYRK1BADRA2AMEN1
SCHEMBL26259985 0.65 CSNK1A1 (0.49) CSNK1A1TYRO3DYRK1BADRA2AMEN1
SCHEMBL26259965 0.62 NISCH (0.54) CSNK1A1TYRO3DYRK1BADRA2AMEN1
SCHEMBL9287236 0.62 NISCH (0.64) CSNK1A1TYRO3DYRK1BADRA2AMEN1
SCHEMBL28382846 0.61 CSNK1A1 (0.56) CSNK1A1TYRO3DYRK1BADRA2AMEN1
SCHEMBL27996777 0.61 CSNK1A1 (0.42) CSNK1A1TYRO3DYRK1BADRA2AMEN1
SCHEMBL2652493 0.61 MEN1 (0.47) CSNK1A1TYRO3DYRK1BADRA2AMEN1

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
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed