SCHEMBL10272075

SCHEMBL10272075

CCSc1nc(SC)c(C#N)c(=O)n1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
DYRK1A Q13627 1/20 0.35
PLK1 P53350 2/20 0.34
GAA P10253 1/20 0.34
DRD2 P14416 2/20 0.33
BCHE P06276 1/20 0.33
KDM4E B2RXH2 1/20 0.33
STING1 Q86WV6 1/20 0.33
ADORA1 P30542 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
BRD4 O60885 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
SCHEMBL2717865 0.74 CA12 (0.39) HTTALDH1A1HPGDL3MBTL1TDP1
SCHEMBL31124347 0.63 TDP1 (0.45) HTTTDP1MEN1KMT2ALMNA
SCHEMBL14645261 0.62 TDP1 (0.54) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL24439643 0.61 DYRK1A (0.46) HTTTDP1MEN1KMT2ALMNA
SCHEMBL569251 0.61 TDP1 (0.74) HTTALDH1A1TDP1MEN1KMT2A
SCHEMBL3020258 0.61 TDP1 (0.81) HTTTDP1MEN1KMT2AGAA
SCHEMBL3154615 0.61 TDP1 (0.51) TDP1MEN1KMT2AGAADRD2
SCHEMBL1519817 0.61 MEN1 (0.60) TDP1MEN1KMT2AGAA
SCHEMBL4755907 0.61 TDP1 (0.48) ALDH1A1TDP1MEN1KMT2ADYRK1A
SCHEMBL30987435 0.60 CNR2 (0.50) DYRK1ADRD2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed