SCHEMBL3963688

SCHEMBL3963688

Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1-c1ccc(Cl)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.59
JAK3 P52333 7/20 0.59
CDK2 P24941 5/20 0.56
CDK9 P50750 3/20 0.56
CCNA2 P20248 2/20 0.56
CCNK O75909 1/20 0.56
CCND3 P30281 1/20 0.56
CDK6 Q00534 1/20 0.56
CCNT1 O60563 2/20 0.56
CDK1 P06493 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK7 P50613 1/20 0.56
CCNH P51946 1/20 0.56
JAK1 P23458 1/20 0.53
TYK2 P29597 1/20 0.53
STAT3 P40763 1/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SYK P43405 2/20 0.51

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
SCHEMBL4079587 0.80 JAK2 (0.54) JAK2JAK3CDK2CDK9CCNA2
SCHEMBL3965914 0.79 JAK2 (0.48) JAK2JAK3CDK2CCNA2TP53
SCHEMBL29777450 0.76 SYK (0.60) JAK2JAK3CDK2CDK9CCNA2
SCHEMBL13881483 0.75 AXL (0.64) JAK2JAK3CDK9CDK7JAK1
SCHEMBL13169661 0.74 JAK2 (0.61) JAK2JAK3CDK2CDK9CCNA2
SCHEMBL2877419 0.74 JAK2 (0.72) JAK2JAK3JAK1TYK2STAT3
SCHEMBL30052792 0.74 JAK2 (0.72) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4378045 0.74 JAK2 (1.00) JAK2JAK3JAK1TYK2STAT3
SCHEMBL12277255 0.74 PDGFRB (0.69) JAK3CDK2CDK9CCNA2CCNK
SCHEMBL23704665 0.74 CCNK (0.65) CDK2CDK9CCNA2CCNKCCND3

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