SCHEMBL4194980

SCHEMBL4194980

O=Cc1ccc2ncnc(-c3ccsc3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.38
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
PDGFRB P09619 3/20 0.35
PDGFRA P16234 3/20 0.35
PDK1 Q15118 1/20 0.35
ADK P55263 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
IP6K1 Q92551 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
PTK2B Q14289 1/20 0.35
ADORA2A P29274 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL2882073 0.80 ADORA2A (0.57) KDM4EMEN1ALDH1A1POLBKMT2A
SCHEMBL4189642 0.79 PIM1 (0.56) NPC1HPGDRAB9APIK3CDPIK3CA
SCHEMBL4189638 0.79 PIM1 (0.56) NPC1HPGDRAB9APIK3CDPIK3CA
SCHEMBL4189640 0.79 PIM1 (0.56) NPC1HPGDRAB9APIK3CDPIK3CA
SCHEMBL4185899 0.76 RIPK2 (0.38) KDM4EMEN1ALDH1A1POLBKMT2A
SCHEMBL4201167 0.75 ERN1 (0.40) ERN1KDM4EMEN1ALDH1A1POLB
SCHEMBL29374061 0.74 ADORA2A (0.62) PDGFRBPDGFRAADKADORA2APIK3CD
SCHEMBL4199482 0.73 RIPK2 (0.39) KDM4EMEN1ALDH1A1POLBKMT2A
SCHEMBL183087 0.71 PIK3CD (0.58) PDGFRBPDGFRAPIK3CDPIK3CAPIK3CB
SCHEMBL6182052 0.70 KIT (0.55) PDGFRBPDGFRAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009026346-A1 THIAZOLIDINE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 WO disclosed
WO-2009026346-A1 THIAZOLIDINE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 WO disclosed