SCHEMBL8351775

SCHEMBL8351775

Nc1cccc(Nc2cc(-c3ccc(NC(=O)c4ccco4)cc3)ccn2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.69
MAPK10 P53779 1/20 0.69
PTPN1 P18031 2/20 0.56
PTPN2 P17706 1/20 0.56
PTPN6 P29350 1/20 0.56
PTPN11 Q06124 1/20 0.56
RAB9A P51151 13/20 0.53
NPC1 O15118 12/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
HSD17B10 Q99714 3/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 5/20 0.50
TP53 P04637 4/20 0.50
USP2 O75604 1/20 0.50
GFER P55789 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 3/20 0.49

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
SCHEMBL8349353 0.93 MAPK8 (0.71) MAPK8MAPK10RAB9ANPC1SMN1; SMN2
SCHEMBL1518754 0.82 MAPK8 (1.00) MAPK8MAPK10RAB9ANPC1SMN1; SMN2
SCHEMBL3997662 0.82 ABL1 (0.59) MAPK8PTPN1PTPN2PTPN6PTPN11
SCHEMBL4004296 0.81 MAPK8 (0.72) MAPK8MAPK10RAB9ANPC1SMN1; SMN2
SCHEMBL8350719 0.80 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2HSD17B10MEN1
SCHEMBL3647264 0.79 ALDH1A1 (0.68) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3999434 0.79 MAPK8 (0.66) MAPK8MAPK10RAB9ANPC1SMN1; SMN2
SCHEMBL3996393 0.78 NPC1 (0.70) MAPK8MAPK10RAB9ANPC1SMN1; SMN2
SCHEMBL7165404 0.76 MAPK1 (0.60) PTPN1PTPN2PTPN6PTPN11RAB9A
SCHEMBL4002795 0.76 GRM4 (0.53) MAPK8MAPK10RAB9ANPC1SMN1; SMN2

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