SCHEMBL4583981

SCHEMBL4583981

CN(C)CC(=O)N1CCN(c2ccc(Nc3nccc(-c4ccccc4NC(=O)C4CCCO4)n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.54
FLT3 P36888 7/20 0.46
JAK2 O60674 10/20 0.45
JAK3 P52333 4/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNE1 P24864 1/20 0.45
HDAC1 Q13547 2/20 0.45
HPGD P15428 1/20 0.44
PDGFRB P09619 2/20 0.44
IKBKB O14920 1/20 0.44
KIT P10721 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
RPS6KB1 P23443 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
MAP3K9 P80192 1/20 0.44

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
SCHEMBL4584312 0.89 JAK2 (0.45) CDK2FLT3JAK2JAK3CDK1
SCHEMBL4376975 0.89 JAK2 (0.58) CDK2FLT3JAK2JAK3HDAC1
SCHEMBL4385650 0.89 JAK2 (0.58) CDK2FLT3JAK2JAK3HDAC1
SCHEMBL4376981 0.89 JAK2 (0.58) CDK2FLT3JAK2JAK3HDAC1
SCHEMBL4468244 0.87 JAK2 (0.43) CDK2FLT3JAK2JAK3HDAC1
SCHEMBL4385393 0.77 JAK2 (0.58) FLT3JAK2JAK3HDAC1PDGFRB
SCHEMBL4385593 0.77 JAK2 (0.58) FLT3JAK2JAK3HDAC1PDGFRB
SCHEMBL4387735 0.77 JAK2 (0.58) FLT3JAK2JAK3HDAC1PDGFRB
SCHEMBL4380782 0.77 JAK2 (0.60) FLT3JAK2JAK3HDAC1HPGD
SCHEMBL4374722 0.77 CDK2 (0.61) CDK2FLT3JAK2JAK3HDAC1

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 claimed