SCHEMBL3710049

SCHEMBL3710049

NC(=O)CCn1ccc2cnc(Nc3cccc(-n4cncn4)c3)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.44
JAK3 P52333 7/20 0.44
TYK2 P29597 5/20 0.44
SYK P43405 3/20 0.44
RPS6KA3 P51812 3/20 0.44
AURKA O14965 2/20 0.44
DCLK1 O15075 2/20 0.44
PDPK1 O15530 2/20 0.44
ROCK2 O75116 2/20 0.44
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
EGFR P00533 2/20 0.44
NTRK1 P04629 2/20 0.44
PRKCG P05129 2/20 0.44
LCK P06239 2/20 0.44
FYN P06241 2/20 0.44
CDK1 P06493 2/20 0.44
LYN P07948 2/20 0.44
RET P07949 2/20 0.44
IGF1R P08069 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
SCHEMBL3713078 0.89 SYK (0.52) JAK2JAK3TYK2SYKRPS6KA3
SCHEMBL3710051 0.86 JAK2 (0.44) JAK2JAK3TYK2SYKRPS6KA3
SCHEMBL15163317 0.83 TBK1 (0.52) JAK2JAK3TYK2SYKRPS6KA3
SCHEMBL15163477 0.82 CDK4 (0.53) JAK2JAK3TYK2SYKRPS6KA3
SCHEMBL3711061 0.81 STAT6 (0.55) JAK2JAK3SYKRPS6KA3CDK2
SCHEMBL1284711 0.81 TBK1 (0.65) TYK2PDPK1MARK3PRKAA1MARK2
SCHEMBL3715005 0.80 PTK2 (0.46) JAK2JAK3TYK2SYKRPS6KA3
SCHEMBL3713912 0.80 MAP3K5 (0.54) JAK2JAK3TYK2SYKRPS6KA3
SCHEMBL3713438 0.80 SYK (0.49) JAK2JAK3TYK2SYKRPS6KA3
SCHEMBL15163234 0.79 SYK (0.47) JAK2JAK3TYK2SYKRPS6KA3

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