SCHEMBL4603072

SCHEMBL4603072

NC(=O)Cc1ccc(-c2ccnc(Nc3cccc(N4CCN(C(=O)c5ccccc5)CC4)c3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.54
JAK3 P52333 1/20 0.52
GSK3B P49841 4/20 0.52
MAPK8 P45983 3/20 0.52
PIK3CG P48736 2/20 0.52
CAMKK2 Q96RR4 2/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CDK2 P24941 4/20 0.48
FLT3 P36888 3/20 0.48
KIT P10721 2/20 0.48
PRKD3 O94806 2/20 0.48
LCK P06239 2/20 0.48
CSF1R P07333 2/20 0.48
FGFR1 P11362 2/20 0.48
SRC P12931 2/20 0.48
KDR P35968 2/20 0.48
SYK P43405 2/20 0.48
GSK3A P49840 2/20 0.48
TAOK1 Q7L7X3 2/20 0.48

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
SCHEMBL4828753 0.91 JAK2 (0.55) JAK2JAK3GSK3BMAPK8PIK3CG
SCHEMBL4762218 0.87 JAK2 (0.70) JAK2JAK3GSK3BMAPK8PIK3CG
SCHEMBL4600894 0.85 CCNT1 (0.51) JAK2JAK3GSK3BMAPK8PIK3CG
SCHEMBL4379476 0.85 JAK2 (0.76) JAK2JAK3GSK3BMAPK8PIK3CG
SCHEMBL4603101 0.82 JAK2 (0.55) JAK2JAK3GSK3BHDAC1HDAC6
SCHEMBL4379050 0.80 JAK2 (0.71) JAK2JAK3GSK3BMAPK8PIK3CG
SCHEMBL4382424 0.80 JAK2 (0.76) JAK2JAK3HDAC1HDAC6CDK2
SCHEMBL4584356 0.79 JAK2 (0.52) JAK2JAK3HDAC1HDAC6CDK2
SCHEMBL4382278 0.79 JAK2 (0.72) JAK2JAK3HDAC1HDAC6CDK2
SCHEMBL14021615 0.79 JAK2 (0.57) JAK2JAK3MAPK8HDAC1HDAC6

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-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed