SCHEMBL5147407

SCHEMBL5147407

COc1ccc(-c2ccsc2-c2ccnc(NCCN3C(=O)NC(C)(C)C3=O)n2)cc1.COc1ccc(-c2ccsc2CC=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.37
BRAF P15056 12/20 0.37
CLK1 P49759 2/20 0.36
CLK2 P49760 2/20 0.36
DYRK1A Q13627 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
MMP2 P08253 2/20 0.33
MMP3 P08254 1/20 0.33
PLA2G7 Q13093 1/20 0.33

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
SCHEMBL5147372 0.92 CLK1 (0.41) RAF1BRAFCLK1CLK2DYRK1A
SCHEMBL2972998 0.80 RAF1 (0.41) RAF1BRAFCLK1CLK2DYRK1A
SCHEMBL5147410 0.76 ALDH1A1 (0.41) RAF1BRAFCLK1CDK2ALDH1A1
SCHEMBL5147404 0.75 BRAF (0.39) RAF1BRAFCLK1CLK2DYRK1A
SCHEMBL5147395 0.75 CDK2 (0.38) RAF1BRAFCLK1CDK2ALDH1A1
SCHEMBL5147412 0.75 BRAF (0.36) RAF1BRAFCLK1CLK2DYRK1A
SCHEMBL2982460 0.70 EIF2AK2 (0.38) RAF1BRAFCLK1CDK2
SCHEMBL5148871 0.70 ALDH1A1 (0.40) CLK1CDK2ALDH1A1PLA2G7
SCHEMBL5147359 0.69 ALDH1A1 (0.45) RAF1BRAFCLK1CLK2DYRK1A
SCHEMBL5146089 0.69 PTGS2 (0.47) ALDH1A1

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