SCHEMBL3716698

SCHEMBL3716698

Cn1cc(Nc2ncc3ccn(CCC(N)=O)c3n2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.67
JAK1 P23458 11/20 0.67
JAK3 P52333 7/20 0.67
HDAC6 Q9UBN7 4/20 0.52
TYK2 P29597 3/20 0.52
CDC7 O00311 2/20 0.48
DAPK3 O43293 2/20 0.48
ROCK2 O75116 2/20 0.48
PRKD3 O94806 2/20 0.48
MAP4K4 O95819 2/20 0.48
PAK4 O96013 2/20 0.48
PIM1 P11309 2/20 0.48
PRKACA P17612 2/20 0.48
CDK2 P24941 2/20 0.48
SYK P43405 2/20 0.48
CSNK1A1 P48729 2/20 0.48
CLK2 P49760 2/20 0.48
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
CDK7 P50613 2/20 0.48

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
SCHEMBL3714457 0.89 JAK1 (0.58) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL3711046 0.83 JAK3 (0.53) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL3716699 0.83 JAK2 (0.61) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL3713922 0.82 FLT4 (0.52) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL3715005 0.81 PTK2 (0.46) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL3721785 0.81 JAK2 (0.46) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL3714022 0.81 JAK2 (0.46) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL3716516 0.81 RPS6KA3 (0.47) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL15163241 0.81 STAT6 (0.64) JAK2JAK3CDK2CDK7
SCHEMBL15163225 0.81 JAK2 (0.64) JAK2JAK1JAK3HDAC6TYK2

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 4 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
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO disclosed