SCHEMBL1118323

SCHEMBL1118323

NC(=O)c1ccc2cc3n(c2c1)C=CC=C1C=CCC=C13

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.38
KDM4E B2RXH2 1/20 0.31
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BRPF1 P55201 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LCK P06239 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL5310375 0.81 RPS6KA3 (0.37) RPS6KA3KDM4EBRD4ALDH1A1BRPF1
SCHEMBL5332877 0.73
SCHEMBL841837 0.66 RPS6KA3 (0.41) RPS6KA3KDM4EBRD4ALDH1A1BRPF1
SCHEMBL4823385 0.63 RPS6KA3 (0.41) RPS6KA3JAK2JAK1TYK2JAK3
SCHEMBL4831486 0.63 RPS6KA3 (0.41) RPS6KA3JAK2JAK1TYK2JAK3
SCHEMBL4829827 0.63 RPS6KA3 (0.41) RPS6KA3JAK2JAK1TYK2JAK3
SCHEMBL50474 0.61 RPS6KA3 (0.39) RPS6KA3KDM4EBRD4ALDH1A1BRPF1
SCHEMBL4822220 0.60 RPS6KA3 (0.40) RPS6KA3KDM4EBRD4ALDH1A1BRPF1
SCHEMBL3945086 0.58 RPS6KA3 (0.40) RPS6KA3KDM4EBRD4ALDH1A1BRPF1
SCHEMBL271134 0.58 RPS6KA3 (0.46) RPS6KA3KDM4EBRD4ALDH1A1BRPF1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO claimed
EP-2280975-A1 7H-INDOLOÝ2,1-A¨Ý2¨BENZAZEPINE-10-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
EP-2178878-A1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2010-04-28 EP disclosed
WO-2009137454-A1 7H-INDOLO[2,1-A] [2] BENZAZEPINE-10-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-12 WO disclosed
WO-2009023487-A1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-19 WO disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed