SCHEMBL3716518

SCHEMBL3716518

Cn1ncc2cc(Nc3ncc4ccn(CCCN)c4n3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.49
SYK P43405 6/20 0.48
CDC7 O00311 1/20 0.46
KDM1A O60341 3/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
TRPM5 Q9NZQ8 1/20 0.43
TBK1 Q9UHD2 2/20 0.43
STAT6 P42226 2/20 0.42
PTK2 Q05397 1/20 0.42
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
KDR P35968 2/20 0.41
JAK1 P23458 1/20 0.41
AURKA O14965 1/20 0.41
DCLK1 O15075 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
SCHEMBL3721787 0.93 RPS6KA3 (0.48) RPS6KA3SYKKDM1ATBK1STAT6
SCHEMBL3714024 0.86 RPS6KA3 (0.48) RPS6KA3SYKTBK1STAT6PTK2
SCHEMBL3716516 0.85 RPS6KA3 (0.47) RPS6KA3SYKCDC7PSEN1PSEN2
SCHEMBL15163276 0.82 TBK1 (0.53) RPS6KA3SYKPSEN1PSEN2APH1B
SCHEMBL1284759 0.80 TBK1 (0.67) SYKTBK1JAK2PDPK1CDK2
SCHEMBL15163166 0.80 RPS6KA3 (0.47) RPS6KA3SYKTBK1STAT6PTK2
SCHEMBL3716699 0.79 JAK2 (0.61) RPS6KA3JAK2JAK3JAK1TYK2
SCHEMBL3790697 0.79 CDC7 (0.47) RPS6KA3SYKCDC7TRPM5TBK1
SCHEMBL3719414 0.79 PTK2 (0.45) RPS6KA3SYKTBK1STAT6PTK2
SCHEMBL3721785 0.78 JAK2 (0.46) RPS6KA3SYKTBK1STAT6PTK2

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