SCHEMBL5147404

SCHEMBL5147404

COc1ccc(-c2ccsc2-c2ccnc(NCCN3C(=O)NC(=O)C3(C)C)n2)cc1.COc1ccc(-c2ccsc2C(C)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.39
RAF1 P04049 14/20 0.39
CLK1 P49759 2/20 0.35
CLK2 P49760 2/20 0.35
DYRK1A Q13627 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL2972998 0.94 RAF1 (0.41) BRAFRAF1CLK1CLK2DYRK1A
SCHEMBL2982460 0.84 EIF2AK2 (0.38) BRAFRAF1CLK1CDK2
SCHEMBL5147372 0.81 CLK1 (0.41) BRAFRAF1CLK1CLK2DYRK1A
SCHEMBL2985893 0.81 RAF1 (0.46) BRAFRAF1CDK2
SCHEMBL2974386 0.77 ALDH1A1 (0.41) BRAFRAF1CLK1CCNT1CDK2
SCHEMBL2986295 0.77 CDK2 (0.35) BRAFRAF1CLK1CDK2
SCHEMBL3071448 0.77 CDK2 (0.35) BRAFRAF1CLK1CDK2
SCHEMBL5147412 0.76 BRAF (0.36) BRAFRAF1CLK1CLK2DYRK1A
SCHEMBL5147407 0.75 RAF1 (0.37) BRAFRAF1CLK1CLK2DYRK1A
SCHEMBL2986787 0.75 CDK2 (0.34) BRAFRAF1CLK1CDK2

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