SCHEMBL8350719

SCHEMBL8350719

Nc1cccc(Nc2cc(-c3ccc(NC(=O)c4cccs4)cc3)ccn2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
MAPT P10636 4/20 0.62
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
LMNA P02545 3/20 0.53
GFER P55789 1/20 0.53
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
PKM P14618 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
ABL1 P00519 1/20 0.48
PDGFRB P09619 1/20 0.48
SRC P12931 1/20 0.48
PDGFRA P16234 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL4001863 0.93 MAPT (0.67) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL8353816 0.89 SMN1; SMN2 (0.51) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL4000628 0.82 ABL1 (0.69) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL8351775 0.80 MAPK8 (0.69) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL13874759 0.78 MAPT (1.00) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL2941787 0.76 ABL1 (0.75) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL4002795 0.75 GRM4 (0.53) SMN1; SMN2NPC1RAB9AABL1SRC
SCHEMBL8351597 0.75 CYP2D6 (0.52) SMN1; SMN2MAPTKMT2ALMNANPC1
SCHEMBL19392293 0.74 NPC1 (0.89) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL8349353 0.73 MAPK8 (0.71) SMN1; SMN2MAPTMEN1KMT2ALMNA

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
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
WO-2004041789-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 WO disclosed