SCHEMBL30508310

SCHEMBL30508310

O=c1cc(-c2cnc3[nH]ccc3c2)nc2ccccn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 9/20 0.51
▸ AXL P30530 2/20 0.51
▸ GLO1 Q04760 1/20 0.49
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ RIPK1 Q13546 2/20 0.43
▸ METTL3 Q86U44 1/20 0.43
▸ METTL14 Q9HCE5 1/20 0.43
▸ CDK7 P50613 2/20 0.43
▸ PLK4 O00444 2/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ PRKD3 O94806 2/20 0.43
▸ MAP4K4 O95819 2/20 0.43
▸ INSR P06213 2/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ ROS1 P08922 2/20 0.43
▸ FER P16591 2/20 0.43
▸ CDK2 P24941 2/20 0.43

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
SCHEMBL15175271 0.81 CDK8 (0.43) CDK8AXLGLO1PIK3CDPIK3CA
SCHEMBL11029117 0.77 CDK8 (0.52) CDK8AXLGLO1PIK3CDPIK3CA
SCHEMBL8099804 0.76 RAB9A (0.49) —
SCHEMBL1659994 0.75 KDM4E (0.52) —
SCHEMBL15176268 0.75 PARP10 (0.39) CDK8AXLGLO1PIK3CDPIK3CA
SCHEMBL31365868 0.74 KDM5B (0.50) CLK4PIM1MAPK1GSK3BHIPK2
SCHEMBL28958139 0.74 KDM5B (0.50) CLK4PIM1MAPK1GSK3BHIPK2
SCHEMBL1834856 0.72 ADORA3 (0.47) ROCK2MAP4K4CLK4PIM1GSK3B
SCHEMBL8100175 0.71 GRM5 (0.55) MAP4K4CSNK1DCLK2BLKCSNK2A1
SCHEMBL8105559 0.71 RAB9A (0.54) METTL3

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-3644996-B1 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2023-07-26 — — EP claimed
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