SCHEMBL20160299

SCHEMBL20160299

CCOC(=O)Nc1cc(-c2cc(N)ccc2Cc2ccc(F)cc2F)cn2c(C)nnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.38
BRD4 O60885 2/20 0.38
BRD2 P25440 2/20 0.38
TRIM24 O15164 1/20 0.38
BRD1 O95696 1/20 0.38
TAF1 P21675 1/20 0.38
SMARCA4 P51532 1/20 0.38
BPTF Q12830 1/20 0.38
BRDT Q58F21 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
PBRM1 Q86U86 1/20 0.38
TAF1L Q8IZX4 1/20 0.38
CREBBP Q92793 1/20 0.38
KAT2B Q92831 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
BRD7 Q9NPI1 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
BRPF3 Q9ULD4 1/20 0.38
KCNQ2 O43526 5/20 0.37

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
SCHEMBL20160087 0.87 BRD4 (0.40) BRPF1BRD4BRD2TRIM24BRD1
SCHEMBL20160077 0.74 BRD4 (0.49) BRD4BRD2BRDTBRD3
SCHEMBL20159918 0.72 BRPF1 (0.53) BRPF1BRD4BRD2TRIM24BRD1
SCHEMBL20160270 0.71 BRD4 (0.42) BRD4BRD2BRDTBRD3
SCHEMBL20160322 0.70 BRD4 (0.39) BRD4BRD2BRDTBRD3
SCHEMBL20160088 0.68 BRPF1 (0.44) BRPF1BRD4BRD2TRIM24BRD1
SCHEMBL20160243 0.67 BRPF1 (0.51) BRPF1BRD4BRD2TRIM24BRD1
SCHEMBL20160236 0.67 BRD4 (0.43) BRD4BRD2BRDTMAPTBRD3
SCHEMBL20160260 0.66 BRD4 (0.51) BRD4BRD2BRDTBRD3
SCHEMBL20159910 0.66 NPC1 (0.39) BRPF1BRD4KCNQ2KCNQ3MAPT

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-2018086585-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed