SCHEMBL18904292

SCHEMBL18904292

NN1C(=O)CCC(n2cnc3cccc(Cl)c3c2=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 4/20 0.38
CRBN Q96SW2 4/20 0.38
IKZF3 Q9UKT9 3/20 0.38
HSD17B13 Q7Z5P4 6/20 0.36
PARP1 P09874 1/20 0.35
PIK3CD O00329 8/20 0.35
PIK3CG P48736 8/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CA P42336 1/20 0.33
NOTUM Q6P988 1/20 0.32

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
SCHEMBL283372 0.79 CRBN (0.64) DDB1CRBNIKZF3
SCHEMBL18945874 0.79 CRBN (0.64) DDB1CRBNIKZF3
SCHEMBL16587068 0.78 CLK1 (0.46) HSD17B13PARP1
SCHEMBL16768177 0.77 DDB1 (0.49) DDB1CRBNIKZF3HSD17B13PARP1
SCHEMBL30417848 0.74 IDO1 (0.43) HSD17B13PARP1PIK3CDPIK3CG
SCHEMBL30419567 0.73 HSD17B13 (0.47) HSD17B13PARP1PIK3CDPIK3CGPIK3CB
SCHEMBL30956576 0.69 HSD17B13 (0.54) HSD17B13PARP1
SCHEMBL4531330 0.69 PIK3CD (0.45) PARP1PIK3CD
SCHEMBL30418480 0.68 HSD17B13 (0.43) HSD17B13PARP1
SCHEMBL30418923 0.68 IDO1 (0.43) HSD17B13PARP1PIK3CDPIK3CG

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-2420498-B1 5-substituted quinazolinone derivatives as anti-cancer agents CELGENE CORP (US) 2017-05-31 EP disclosed