SCHEMBL3714022

SCHEMBL3714022

Cn1ncc2cc(Nc3ncc4ccn(CCC(N)=O)c4n3)cnc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.46
JAK1 P23458 8/20 0.46
JAK3 P52333 5/20 0.46
RPS6KA3 P51812 1/20 0.46
TYK2 P29597 3/20 0.43
STAT6 P42226 1/20 0.42
HDAC6 Q9UBN7 5/20 0.41
WEE1 P30291 2/20 0.41
PTK2 Q05397 1/20 0.41

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
SCHEMBL3716516 0.87 RPS6KA3 (0.47) JAK2JAK1JAK3RPS6KA3TYK2
SCHEMBL3721785 0.86 JAK2 (0.46) JAK2JAK1JAK3RPS6KA3TYK2
SCHEMBL3714024 0.85 RPS6KA3 (0.48) JAK2JAK1JAK3RPS6KA3TYK2
SCHEMBL3716698 0.81 JAK2 (0.67) JAK2JAK1JAK3RPS6KA3TYK2
SCHEMBL15163170 0.81 TBK1 (0.49) JAK2JAK1JAK3RPS6KA3TYK2
SCHEMBL1284228 0.79 TBK1 (0.63) JAK2JAK1JAK3
SCHEMBL3714457 0.79 JAK1 (0.58) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL3715005 0.78 PTK2 (0.46) JAK2JAK1JAK3RPS6KA3TYK2
SCHEMBL3713912 0.78 MAP3K5 (0.54) JAK2JAK1JAK3RPS6KA3TYK2
SCHEMBL15163477 0.78 CDK4 (0.53) JAK2JAK1JAK3RPS6KA3TYK2

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