SCHEMBL4461008

SCHEMBL4461008

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(N4CCN(C(=O)C5CCCC5)CC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(N4CCN(C(=O)Cc5cccnc5)CC4)c3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.63
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
ABL1 P00519 2/20 0.49
BCR P11274 2/20 0.49
PDGFRB P09619 1/20 0.49
SRC P12931 1/20 0.49
PDGFRA P16234 1/20 0.49
JAK3 P52333 2/20 0.46
FLT3 P36888 4/20 0.46
CDK1 P06493 3/20 0.46
CCNB1 P14635 3/20 0.46
CDK2 P24941 2/20 0.46
CCNE1 P24864 1/20 0.46
CDK7 P50613 1/20 0.46
CCNH P51946 1/20 0.46
MNAT1 P51948 1/20 0.46
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK9 P50750 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
SCHEMBL4384202 0.94 JAK2 (0.69) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL4461013 0.93 JAK2 (0.57) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL4381115 0.91 JAK2 (0.76) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL4381674 0.89 JAK2 (0.76) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL4376481 0.88 JAK2 (0.76) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL4382278 0.87 JAK2 (0.72) JAK2HDAC1HDAC6JAK3FLT3
SCHEMBL4383500 0.86 JAK2 (0.67) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL4386163 0.86 JAK2 (0.67) JAK2HDAC1HDAC6JAK3FLT3
SCHEMBL8236962 0.84 JAK2 (0.70) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL4379799 0.84 JAK2 (0.73) JAK2HDAC1HDAC6ABL1BCR

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed