SCHEMBL6975744

SCHEMBL6975744

Cc1ccsc1Sc1nc(Nc2ccccc2C(C)C)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.42
CCR4 P51679 1/20 0.40
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 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.32
CCNK O75909 1/20 0.31
CCND3 P30281 1/20 0.31
CDK9 P50750 1/20 0.31
CDK6 Q00534 1/20 0.31
AXL P30530 1/20 0.31
USP1 O94782 1/20 0.30
WDR48 Q8TAF3 1/20 0.30
CCNA2 P20248 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
SCHEMBL7084460 0.88 METAP2 (0.41) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL7089876 0.87 SMN1; SMN2 (0.44) METAP2CCR4IGF1RLMNAHTT
SCHEMBL6615397 0.83 METAP2 (0.49) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL6976057 0.82 MAPT (0.45) LMNAHTTSMN1; SMN2NPSR1NPC1
SCHEMBL5376577 0.82 METAP2 (0.47) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL7083096 0.80 CCR4 (0.39) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL7085330 0.77 LRRK2 (0.43) METAP2CCR4LMNAHTTSMN1; SMN2
SCHEMBL7087916 0.76 CCR4 (0.39) METAP2CCR4PIK3CAPIK3CBPIK3CG
SCHEMBL7087201 0.76 RAB9A (0.42) METAP2LMNASMN1; SMN2NPC1CCNA2
SCHEMBL7087580 0.75 CDK2 (0.46) CCR4PIK3CAPIK3CGLMNAHTT

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