SCHEMBL3716699

SCHEMBL3716699

Cn1cc(Nc2ncc3ccn(CCCN)c3n2)cn1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.61
JAK1 P23458 11/20 0.61
JAK3 P52333 7/20 0.61
RPS6KA3 P51812 1/20 0.48
TYK2 P29597 6/20 0.47
HDAC6 Q9UBN7 6/20 0.47
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
CDK19 Q9BWU1 2/20 0.44
ALK Q9UM73 2/20 0.44

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
SCHEMBL3714459 0.88 EIF2AK4 (0.57) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL3716698 0.83 JAK2 (0.67) JAK2JAK1JAK3RPS6KA3TYK2
SCHEMBL3711049 0.82 JAK3 (0.49) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL15163225 0.81 JAK2 (0.64) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL3713927 0.81 TBK1 (0.48) JAK2JAK1JAK3RPS6KA3TYK2
SCHEMBL13733806 0.81 JAK2 (0.63) JAK2JAK1JAK3RPS6KA3TYK2
SCHEMBL3721787 0.80 RPS6KA3 (0.48) JAK2JAK1JAK3RPS6KA3TYK2
SCHEMBL3714024 0.80 RPS6KA3 (0.48) JAK2JAK1JAK3RPS6KA3TYK2
SCHEMBL13735183 0.80 JAK2 (0.57) JAK2JAK1JAK3RPS6KA3TYK2
SCHEMBL3715010 0.80 PTK2 (0.48) 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