SCHEMBL4468244

SCHEMBL4468244

CN(C)CC(C)(C)CN1CCN(c2ccc(Nc3nccc(-c4ccccc4NC(=O)C4CCCO4)n3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.43
JAK3 P52333 6/20 0.43
HDAC1 Q13547 2/20 0.42
ACVR1 Q04771 1/20 0.42
FLT3 P36888 5/20 0.41
PDGFRB P09619 2/20 0.41
JAK1 P23458 2/20 0.41
IKBKB O14920 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
RPS6KB1 P23443 1/20 0.41
TYK2 P29597 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
MAP3K9 P80192 1/20 0.41
PLK4 O00444 1/20 0.41
CIT O14578 1/20 0.41
GAK O14976 1/20 0.41
BUB1 O43683 1/20 0.41

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
SCHEMBL4379809 0.89 JAK2 (0.55) JAK2JAK3HDAC1FLT3PDGFRB
SCHEMBL4380901 0.89 JAK2 (0.55) JAK2JAK3HDAC1FLT3PDGFRB
SCHEMBL4380896 0.89 JAK2 (0.55) JAK2JAK3HDAC1FLT3PDGFRB
SCHEMBL4583981 0.87 CDK2 (0.54) JAK2JAK3HDAC1FLT3PDGFRB
SCHEMBL4869734 0.83 JAK2 (0.51) JAK2JAK3HDAC1FLT3PDGFRB
SCHEMBL4869724 0.83 JAK2 (0.51) JAK2JAK3HDAC1FLT3PDGFRB
SCHEMBL4584312 0.81 JAK2 (0.45) JAK2JAK3HDAC1ACVR1FLT3
SCHEMBL4383238 0.78 JAK2 (0.57) JAK2JAK3HDAC1FLT3PDGFRB
SCHEMBL4377197 0.76 JAK2 (0.57) JAK2JAK3HDAC1FLT3PDGFRB
SCHEMBL4378712 0.76 JAK2 (0.66) JAK2JAK3HDAC1FLT3PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO claimed