SCHEMBL7167170

SCHEMBL7167170

Nc1ncnc2c1c(I)nn2CC1(O)CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.42
JAK3 P52333 6/20 0.42
EGFR P00533 1/20 0.42
DYRK3 O43781 2/20 0.42
CDK1 P06493 2/20 0.42
ROS1 P08922 2/20 0.42
RPS6KB1 P23443 2/20 0.42
CDK2 P24941 2/20 0.42
CSNK1A1 P48729 2/20 0.42
CSNK1D P48730 2/20 0.42
CLK2 P49760 2/20 0.42
IRAK1 P51617 2/20 0.42
CDK5 Q00535 2/20 0.42
DYRK1A Q13627 2/20 0.42
NTRK3 Q16288 2/20 0.42
SLK Q9H2G2 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
RET P07949 2/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42

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
SCHEMBL5804101 0.85 TGFBR1 (0.44) JAK2JAK3EGFRDYRK3CDK1
SCHEMBL27586600 0.81 JAK2 (0.42) JAK2JAK3EGFRDYRK3CDK1
SCHEMBL23150464 0.79 JAK3 (0.59) JAK2JAK3EGFRDYRK3CDK1
SCHEMBL23150425 0.76 JAK2 (0.49) JAK2JAK3EGFRDYRK3CDK1
SCHEMBL16278661 0.76 RET (0.41) JAK2JAK3EGFRDYRK3CDK1
SCHEMBL16278662 0.76 RET (0.41) JAK2JAK3EGFRDYRK3CDK1
SCHEMBL7138358 0.76 ABL1 (0.52) EGFRLCKFYNSRCKDR
SCHEMBL23150533 0.75 JAK2 (0.54) JAK2JAK3EGFRDYRK3CDK1
SCHEMBL17267635 0.74 DYRK3 (0.47) JAK2JAK3EGFRDYRK3CDK1
SCHEMBL5802174 0.74 JAK2 (0.67) JAK2JAK3EGFRDYRK3CDK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
CN-1390219-A Pyrazolopyrimidines as therapeutic agents ABBOTT AG (DE) 2003-01-08 CN disclosed