SCHEMBL4079587

SCHEMBL4079587

Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1-c1ccc(-c2cccc(C(C)C)c2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.54
JAK3 P52333 8/20 0.54
CDK2 P24941 5/20 0.51
CDK9 P50750 3/20 0.51
CCNT1 O60563 2/20 0.51
CCNA2 P20248 2/20 0.51
KCNH2 Q12809 1/20 0.49
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
STAT3 P40763 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK7 P50613 1/20 0.48
CCNH P51946 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CCNK O75909 1/20 0.46
CCND3 P30281 1/20 0.46
CDK6 Q00534 1/20 0.46

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
SCHEMBL3971237 0.88 AXL (0.53) JAK2JAK3CDK2CDK9CCNT1
SCHEMBL13881457 0.83 JAK2 (0.44) JAK2JAK3SYKPDGFRBPDGFRA
SCHEMBL3966844 0.81 AXL (0.47) JAK2JAK3CDK2CDK9CCNT1
SCHEMBL13881583 0.81 AXL (0.54) JAK2JAK3CDK1
SCHEMBL3963688 0.80 JAK2 (0.59) JAK2JAK3CDK2CDK9CCNT1
SCHEMBL3969938 0.79 AXL (0.56) JAK2JAK3CDK9KCNH2JAK1
SCHEMBL13881451 0.79 AXL (0.53) JAK2JAK3CDK2CDK9CCNT1
SCHEMBL3969736 0.78 AURKA (0.37) JAK2CDK2
SCHEMBL13881491 0.77 AXL (0.44) JAK2JAK3JAK1TYK2CDK1
SCHEMBL3969931 0.75 CCNT1 (0.45) JAK2JAK3CDK2CDK9CCNT1

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
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO claimed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed