SCHEMBL3711046

SCHEMBL3711046

NC(=O)CCn1ccc2cnc(Nc3cnn(CCN4CCOCC4)c3)nc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.53
HDAC6 Q9UBN7 6/20 0.51
KDR P35968 1/20 0.51
AURKB Q96GD4 1/20 0.51
JAK2 O60674 12/20 0.50
JAK1 P23458 9/20 0.50
TYK2 P29597 3/20 0.49
TBK1 Q9UHD2 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL3711049 0.86 JAK3 (0.49) JAK3HDAC6KDRAURKBJAK2
SCHEMBL3714457 0.85 JAK1 (0.58) JAK3HDAC6JAK2JAK1TYK2
SCHEMBL15163458 0.84 TBK1 (0.57) JAK3HDAC6JAK2JAK1TYK2
SCHEMBL3716698 0.83 JAK2 (0.67) JAK3HDAC6JAK2JAK1TYK2
SCHEMBL3790567 0.83 STAT6 (0.65) JAK3
SCHEMBL1284833 0.81 TBK1 (0.72) JAK3HDAC6AURKBJAK2JAK1
SCHEMBL3795183 0.81 TBK1 (0.70) JAK3KDRAURKBJAK2TYK2
SCHEMBL3717362 0.81 STAT6 (0.53) JAK3TBK1
SCHEMBL3711929 0.81 JAK2 (0.53) JAK3JAK2JAK1TYK2TBK1
SCHEMBL3711061 0.79 STAT6 (0.55) JAK3HDAC6JAK2TBK1HDAC3

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
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP claimed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO claimed
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP disclosed