SCHEMBL5168264

SCHEMBL5168264

CC(=O)c1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRK6 P43250 1/20 0.49
▸ MAP4K4 O95819 3/20 0.45
▸ CLK4 Q9HAZ1 3/20 0.45
▸ CSNK1G2 P78368 2/20 0.45
▸ MKNK2 Q9HBH9 2/20 0.45
▸ MAP4K5 Q9Y4K4 2/20 0.45
▸ KDR P35968 2/20 0.45
▸ MAPK8 P45983 2/20 0.45
▸ CDK8 P49336 2/20 0.45
▸ ACVR1 Q04771 2/20 0.45
▸ MST1R Q04912 2/20 0.45
▸ ROCK1 Q13464 2/20 0.45
▸ LRRK2 Q5S007 2/20 0.45
▸ DYRK1B Q9Y463 2/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ DCLK1 O15075 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ PAK4 O96013 1/20 0.45
▸ CHEK2 O96017 1/20 0.45

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
SCHEMBL3011060 0.87 GRK6 (0.44) GRK6MAP4K4CLK4CSNK1G2MKNK2
SCHEMBL27676654 0.87 ATM (0.41) GRK6ALDH1A1
SCHEMBL939586 0.86 CD74 (0.53) ALDH1A1
SCHEMBL30425732 0.86 CD74 (0.53) ALDH1A1
SCHEMBL15094744 0.86 KMT2A (0.49) MAPTALDH1A1
SCHEMBL3065165 0.84 PARP1 (0.46) CLK4CSNK1G2KDRMAPK8CDK8
SCHEMBL13545042 0.84 SMN1; SMN2 (0.41) GRK6MAPK8CDK8MAPTALDH1A1
SCHEMBL1505455 0.84 GABRG2 (0.50) CDK8NPY5RMAPTALDH1A1
SCHEMBL13542931 0.84 ACHE (0.38) GRK6MAP4K4CLK4CSNK1G2MKNK2
Hydrochloric Acid SCHEMBL12469361 0.83 MAP2K4 (0.45) CLK4CSNK1G2KDRMAPK8CDK8

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-1773125-A1 5-IODOTETRAZOLES Lanxess Deutschland GmbH (DE) 2007-04-18 — — EP disclosed
WO-2006012996-A1 5-IODOTETRAZOLES LANXESS DEUTSCHLAND GMBH (DE) 2006-02-09 — — WO disclosed
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