SCHEMBL3711049

SCHEMBL3711049

NCCCn1ccc2cnc(Nc3cnn(CCN4CCOCC4)c3)nc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.49
JAK2 O60674 7/20 0.48
JAK1 P23458 3/20 0.48
TBK1 Q9UHD2 2/20 0.47
HDAC6 Q9UBN7 4/20 0.47
STAT6 P42226 5/20 0.47
TYK2 P29597 1/20 0.45
IGF1R P08069 1/20 0.45
KDR P35968 1/20 0.45
AURKB Q96GD4 1/20 0.45

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
SCHEMBL3711046 0.86 JAK3 (0.53) JAK3JAK2JAK1TBK1HDAC6
SCHEMBL15163458 0.84 TBK1 (0.57) JAK3JAK2JAK1TBK1HDAC6
SCHEMBL3714459 0.84 EIF2AK4 (0.57) JAK3JAK2JAK1HDAC6TYK2
SCHEMBL3716699 0.82 JAK2 (0.61) JAK3JAK2JAK1HDAC6TYK2
SCHEMBL1284833 0.82 TBK1 (0.72) JAK3JAK2JAK1TBK1HDAC6
SCHEMBL3790571 0.82 STAT6 (0.68) JAK2STAT6IGF1RKDRAURKB
SCHEMBL3795187 0.80 TBK1 (0.70) JAK3JAK2TBK1STAT6TYK2
SCHEMBL1284873 0.80 STAT6 (0.55) JAK3JAK1TBK1STAT6IGF1R
SCHEMBL3711062 0.78 STAT6 (0.58) JAK3JAK2TBK1HDAC6STAT6
SCHEMBL3711931 0.77 JAK2 (0.53) JAK3JAK2JAK1TBK1STAT6

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