SCHEMBL3795183

SCHEMBL3795183

NC(=O)CCn1ccc2cnc(Nc3cccc(CN4CCOCC4)c3)nc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.70
JAK3 P52333 4/20 0.55
STAT6 P42226 4/20 0.53
CDK1 P06493 2/20 0.50
KDR P35968 2/20 0.50
NTRK1 P04629 2/20 0.49
TYK2 P29597 2/20 0.49
NUAK1 O60285 2/20 0.49
STK16 O75716 1/20 0.49
CSF1R P07333 1/20 0.49
CSNK2A2 P19784 1/20 0.49
AAK1 Q2M2I8 1/20 0.49
ULK3 Q6PHR2 1/20 0.49
BMP2K Q9NSY1 1/20 0.49
CDK2 P24941 3/20 0.49
AURKA O14965 2/20 0.49
JAK2 O60674 2/20 0.49
MARK3 P27448 2/20 0.49
PRKAA1 Q13131 2/20 0.49
MARK2 Q7KZI7 2/20 0.49

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
SCHEMBL3716065 0.92 TBK1 (0.62) TBK1JAK3STAT6CDK1KDR
SCHEMBL3714974 0.91 TBK1 (0.61) TBK1JAK3STAT6CDK1KDR
SCHEMBL3795187 0.87 TBK1 (0.70) TBK1JAK3STAT6CDK1KDR
SCHEMBL3711061 0.86 STAT6 (0.55) TBK1JAK3STAT6CDK2JAK2
SCHEMBL15163250 0.84 TBK1 (0.82) TBK1JAK3STAT6CDK1KDR
SCHEMBL1284578 0.82 TBK1 (1.00) TBK1JAK3STAT6CDK1KDR
SCHEMBL3711046 0.81 JAK3 (0.53) TBK1JAK3KDRTYK2JAK2
SCHEMBL3790567 0.81 STAT6 (0.65) JAK3STAT6CDK1CDK2AURKA
SCHEMBL15163477 0.80 CDK4 (0.53) TBK1JAK3STAT6CDK1KDR
SCHEMBL3717362 0.79 STAT6 (0.53) TBK1JAK3STAT6CSF1RAURKA

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