SCHEMBL6615397

SCHEMBL6615397

CC(C)c1ccccc1Nc1n[nH]c(Sc2cccs2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.49
CCR4 P51679 2/20 0.43
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
NPC1 O15118 1/20 0.39
IGF1R P08069 1/20 0.38
PLAU P00749 1/20 0.34
CCNK O75909 1/20 0.32
CCND3 P30281 1/20 0.32
CDK9 P50750 1/20 0.32
CDK6 Q00534 1/20 0.32
AXL P30530 1/20 0.32
USP1 O94782 1/20 0.32
WDR48 Q8TAF3 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
PLK1 P53350 1/20 0.32
CCNA1 P78396 1/20 0.32
PLK3 Q9H4B4 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
SCHEMBL6975744 0.83 METAP2 (0.42) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL7083096 0.82 CCR4 (0.39) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL7084460 0.82 METAP2 (0.41) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL5385028 0.82 METAP2 (0.67) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL7087916 0.81 CCR4 (0.39) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL7084013 0.81 ALDH1A1 (0.48) NPC1L3MBTL1EGFRMEN1ALDH1A1
SCHEMBL5380582 0.77 METAP2 (0.45) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL5376577 0.76 METAP2 (0.47) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL5376479 0.75 METAP2 (0.46) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL5382055 0.75 METAP2 (0.49) METAP2PIK3CAPIK3CBPIK3CGNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1386279-A2 METHOD FOR INHIBITING METAP2 SMITHKLINE BEECHAM CORPORATION (US) 2004-02-04 EP claimed
WO-2002081415-A2 METHOD FOR INHIBITING METAP2 SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 WO claimed
EP-1386279-A2 METHOD FOR INHIBITING METAP2 SMITHKLINE BEECHAM CORPORATION (US) 2004-02-04 EP disclosed
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
WO-2002081415-A2 METHOD FOR INHIBITING METAP2 SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 WO 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