SCHEMBL3721785

SCHEMBL3721785

Cn1ncc2ccc(Nc3ncc4ccn(CCC(N)=O)c4n3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.46
JAK3 P52333 5/20 0.46
JAK1 P23458 5/20 0.46
RPS6KA3 P51812 2/20 0.46
SYK P43405 3/20 0.45
STAT6 P42226 1/20 0.43
TYK2 P29597 3/20 0.43
SLC2A1 P11166 1/20 0.42
AURKA O14965 1/20 0.41
DCLK1 O15075 1/20 0.41
PDPK1 O15530 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
EGFR P00533 1/20 0.41
NTRK1 P04629 1/20 0.41
PRKCG P05129 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CDK1 P06493 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 0.93 RPS6KA3 (0.47) JAK2JAK3JAK1RPS6KA3SYK
SCHEMBL3714022 0.86 JAK2 (0.46) JAK2JAK3JAK1RPS6KA3STAT6
SCHEMBL3721787 0.85 RPS6KA3 (0.48) JAK2JAK3JAK1RPS6KA3SYK
SCHEMBL15163162 0.82 SYK (0.47) JAK2JAK3JAK1RPS6KA3SYK
SCHEMBL3716698 0.81 JAK2 (0.67) JAK2JAK3JAK1RPS6KA3SYK
SCHEMBL15163287 0.81 TBK1 (0.51) JAK2JAK3JAK1RPS6KA3SYK
SCHEMBL3713912 0.80 MAP3K5 (0.54) JAK2JAK3JAK1RPS6KA3SYK
SCHEMBL15163477 0.80 CDK4 (0.53) JAK2JAK3JAK1RPS6KA3SYK
SCHEMBL3790694 0.79 JAK3 (0.50) JAK2JAK3RPS6KA3SYKSTAT6
SCHEMBL3719412 0.79 SYK (0.49) JAK2JAK3JAK1RPS6KA3SYK

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