SCHEMBL2861973

SCHEMBL2861973

Cc1cc(C)c(S(=O)(=O)NCc2cccnc2)cc1Nc1nc2ccc(F)cc2c2c1=CC(=O)[N]C=2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NAMPT P43490 1/20 0.37

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
SCHEMBL2863284 0.82 POLB (0.51) POLBALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL13225045 0.80 POLB (0.51) POLBALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL2863267 0.80 JAK2 (0.37) HTTKMT2AMEN1
SCHEMBL2862230 0.76 MKNK2 (0.32) POLB
SCHEMBL3501245 0.72 POLB (0.52) POLBALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL2858246 0.70 MAPT (0.43) SMN1; SMN2
SCHEMBL2870379 0.69 LYN (0.34)
SCHEMBL3501861 0.66 POLB (0.81) POLBALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL4730919 0.65 POLB (0.58) POLBALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL2865380 0.65 JAK2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP claimed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO claimed
EP-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP disclosed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO disclosed