SCHEMBL7087916

SCHEMBL7087916

CC(C)c1ccccc1Nc1n[nH]c(Sc2ccc(Cl)s2)n1

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 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
IGF1R P08069 1/20 0.37
PLAU P00749 1/20 0.33
CCNK O75909 1/20 0.33
CCND3 P30281 1/20 0.33
CDK9 P50750 1/20 0.33
CDK6 Q00534 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
CXCR2 P25025 1/20 0.31
EGFR P00533 2/20 0.31
AXL P30530 1/20 0.31
PDGFRB P09619 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
PLK1 P53350 1/20 0.31
CCNA1 P78396 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
SCHEMBL7083096 0.87 CCR4 (0.39) CCR4METAP2PIK3CAPIK3CBPIK3CG
SCHEMBL7089232 0.85 PKM (0.42) METAP2CCNKCCND3CDK9CDK6
SCHEMBL5385605 0.83 METAP2 (0.47) CCR4METAP2PIK3CAPIK3CBPIK3CG
SCHEMBL7090424 0.82 ALDH1A1 (0.49) EGFRL3MBTL1
SCHEMBL6615397 0.81 METAP2 (0.49) CCR4METAP2PIK3CAPIK3CBPIK3CG
SCHEMBL7084460 0.80 METAP2 (0.41) CCR4METAP2PIK3CAPIK3CBPIK3CG
SCHEMBL6975744 0.76 METAP2 (0.42) CCR4METAP2PIK3CAPIK3CBPIK3CG
SCHEMBL7084630 0.75 MEN1 (0.42) METAP2TRPV1CDK2
SCHEMBL5371746 0.74 KMT2A (0.42) METAP2PIK3CAPIK3CBPIK3CGL3MBTL1
SCHEMBL7088195 0.74 NFKB1 (0.48) CCR4PIK3CAPIK3CBPIK3CGEGFR

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