SCHEMBL3719296

SCHEMBL3719296

NC(=O)CCn1ccc2cnc(Nc3ccc4nccn4c3)nc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.49
PRKDC P78527 1/20 0.47
JAK2 O60674 9/20 0.44
JAK1 P23458 5/20 0.44
JAK3 P52333 4/20 0.44
RPS6KA3 P51812 1/20 0.44
STAT6 P42226 1/20 0.42
TYK2 P29597 3/20 0.41
PTK2 Q05397 1/20 0.41
HDAC6 Q9UBN7 6/20 0.41
WEE1 P30291 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL3719300 0.84 RPS6KA3 (0.46) SYKPRKDCJAK2JAK1JAK3
SCHEMBL3715005 0.81 PTK2 (0.46) SYKJAK2JAK1JAK3RPS6KA3
SCHEMBL15163358 0.81 TBK1 (0.46) SYKPRKDCJAK2JAK1JAK3
SCHEMBL15163162 0.80 SYK (0.47) SYKJAK2JAK1JAK3RPS6KA3
SCHEMBL3716698 0.80 JAK2 (0.67) SYKJAK2JAK1JAK3RPS6KA3
SCHEMBL1284594 0.79 TBK1 (0.60) SYKPRKDCJAK2HDAC6
SCHEMBL3719412 0.78 SYK (0.49) SYKJAK2JAK1JAK3RPS6KA3
SCHEMBL3719571 0.78 CAMK2D (0.50) JAK2JAK1JAK3RPS6KA3STAT6
SCHEMBL3714457 0.78 JAK1 (0.58) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL3721785 0.77 JAK2 (0.46) SYKJAK2JAK1JAK3RPS6KA3

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