SCHEMBL7084460

SCHEMBL7084460

CC(C)c1ccccc1Nc1n[nH]c(Sc2sccc2Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.41
CCR4 P51679 1/20 0.40
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
IGF1R P08069 1/20 0.36
CCNK O75909 1/20 0.36
CCND3 P30281 1/20 0.36
CDK9 P50750 1/20 0.36
CDK6 Q00534 1/20 0.36
PLAU P00749 1/20 0.34
CXCR2 P25025 1/20 0.32
EGFR P00533 1/20 0.32
PDGFRB P09619 1/20 0.32
NPC1 O15118 2/20 0.32
KDM4E B2RXH2 2/20 0.31
SIRT5 Q9NXA8 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL6975744 0.88 METAP2 (0.42) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL7085330 0.85 LRRK2 (0.43) METAP2CCR4CCNKCCND3CDK9
SCHEMBL5376479 0.82 METAP2 (0.46) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL6615397 0.82 METAP2 (0.49) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL7087916 0.80 CCR4 (0.39) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL7083096 0.76 CCR4 (0.39) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL7084581 0.76 NPC1 (0.40) METAP2NPC1GAAMAPTRAB9A
SCHEMBL7090453 0.75 NFKB1 (0.46) CCR4PIK3CAPIK3CBPIK3CGEGFR
SCHEMBL5371746 0.75 KMT2A (0.42) METAP2PIK3CAPIK3CBPIK3CGNPC1
SCHEMBL7089876 0.75 SMN1; SMN2 (0.44) METAP2CCR4IGF1RNPC1PKM

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 3 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