SCHEMBL7083096

SCHEMBL7083096

Cc1ccc(Sc2nc(Nc3ccccc3C(C)C)n[nH]2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.39
METAP2 P50579 3/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
IGF1R P08069 1/20 0.38
PLAU P00749 1/20 0.36
CCNK O75909 1/20 0.34
CCND3 P30281 1/20 0.34
CDK9 P50750 1/20 0.34
CDK6 Q00534 1/20 0.34
AXL P30530 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
PLK1 P53350 1/20 0.31
CCNA1 P78396 1/20 0.31
PLK3 Q9H4B4 1/20 0.31
PLK2 Q9NYY3 1/20 0.31
EGFR P00533 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7087916 0.87 CCR4 (0.39) CCR4METAP2PIK3CAPIK3CBPIK3CG
SCHEMBL7083292 0.85 SMN1; SMN2 (0.43) CCR4METAP2CCNKCCND3CDK9
SCHEMBL6615397 0.82 METAP2 (0.49) CCR4METAP2PIK3CAPIK3CBPIK3CG
SCHEMBL5387581 0.82 METAP2 (0.48) CCR4METAP2PIK3CAPIK3CBPIK3CG
SCHEMBL6980038 0.81 ALDH1A1 (0.45) EGFRLMNASMN1; SMN2NPSR1POLB
SCHEMBL6975744 0.80 METAP2 (0.42) CCR4METAP2PIK3CAPIK3CBPIK3CG
SCHEMBL7084460 0.76 METAP2 (0.41) CCR4METAP2PIK3CAPIK3CBPIK3CG
SCHEMBL7083924 0.75 MAPT (0.44) METAP2CCNA2CDK2LMNASMN1; SMN2
SCHEMBL5382055 0.74 METAP2 (0.49) METAP2PIK3CAPIK3CBPIK3CGIGF1R
SCHEMBL7087411 0.74 NFKB1 (0.44) CCR4PIK3CAPIK3CGCCNA2CDK2

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
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP claimed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO claimed
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP disclosed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO disclosed