SCHEMBL3721787

SCHEMBL3721787

Cn1ncc2ccc(Nc3ncc4ccn(CCCN)c4n3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.48
SLC2A1 P11166 1/20 0.44
STAT6 P42226 2/20 0.43
PTK2 Q05397 2/20 0.43
SYK P43405 5/20 0.41
JAK2 O60674 4/20 0.41
JAK3 P52333 4/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
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

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
SCHEMBL3716518 0.93 RPS6KA3 (0.49) RPS6KA3SLC2A1STAT6PTK2SYK
SCHEMBL3714024 0.85 RPS6KA3 (0.48) RPS6KA3STAT6PTK2SYKJAK2
SCHEMBL3721785 0.85 JAK2 (0.46) RPS6KA3SLC2A1STAT6PTK2SYK
SCHEMBL15163287 0.82 TBK1 (0.51) RPS6KA3SYKJAK2JAK3JAK1
SCHEMBL15163166 0.81 RPS6KA3 (0.47) RPS6KA3STAT6PTK2SYKJAK2
SCHEMBL3716699 0.80 JAK2 (0.61) RPS6KA3JAK2JAK3JAK1TYK2
SCHEMBL1284951 0.80 TBK1 (0.65) SYKJAK2PDPK1CDK2MARK3
SCHEMBL15163478 0.78 CDK4 (0.53) RPS6KA3STAT6SYKJAK2JAK3
SCHEMBL3790697 0.78 CDC7 (0.47) RPS6KA3STAT6PTK2SYKJAK2
SCHEMBL3719414 0.78 PTK2 (0.45) RPS6KA3STAT6PTK2SYKJAK2

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