SCHEMBL5147372

SCHEMBL5147372

COc1ccc(-c2ccsc2-c2ccnc(NCCN3C(=O)NC(C)(C)C3=O)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.41
CLK2 P49760 2/20 0.41
DYRK1A Q13627 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
RAF1 P04049 12/20 0.41
BRAF P15056 11/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
PLA2G7 Q13093 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5147407 0.92 RAF1 (0.37) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL2972998 0.87 RAF1 (0.41) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL5147410 0.82 ALDH1A1 (0.41) CLK1RAF1BRAFALDH1A1CDK2
SCHEMBL5147404 0.81 BRAF (0.39) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL5147395 0.81 CDK2 (0.38) CLK1RAF1BRAFALDH1A1MAPK1
SCHEMBL5147412 0.78 BRAF (0.36) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL2982460 0.76 EIF2AK2 (0.38) CLK1RAF1BRAFCDK2MAPK11
SCHEMBL5148871 0.76 ALDH1A1 (0.40) CLK1ALDH1A1CDK2PLA2G7SMN1; SMN2
SCHEMBL5147359 0.75 ALDH1A1 (0.45) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL5181846 0.73 AKT3 (0.37) CLK1ALDH1A1MAPK1CDK2PLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO disclosed