SCHEMBL5147455

SCHEMBL5147455

CC1(C)NC(=O)N(CCNc2ncc(C(F)(F)F)c(-c3ccc(S(=O)(=O)c4ccc(F)cc4)s3)n2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.37
ALDH1A1 P00352 1/20 0.34
AR P10275 1/20 0.34
PTGS2 P35354 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
CDK7 P50613 2/20 0.30
CCNH P51946 2/20 0.30
MNAT1 P51948 2/20 0.30
GCK P35557 1/20 0.30
GCKR Q14397 1/20 0.30
CCNT1 O60563 1/20 0.30
CCNK O75909 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 1/20 0.30
CDK12 Q9NYV4 1/20 0.30

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
SCHEMBL5149061 0.89 PLA2G7 (0.38) PLA2G7ALDH1A1PTGS2
SCHEMBL2980447 0.88 PTGS2 (0.31) PTGS2CDK7CCNHMNAT1GCK
SCHEMBL5145984 0.85 PLA2G7 (0.41) PLA2G7ALDH1A1
SCHEMBL5145972 0.83 RAF1 (0.39) PLA2G7ALDH1A1PTGS2
SCHEMBL5147484 0.81 SMN1; SMN2 (0.37) ALDH1A1PTGS2LMNAHTT
SCHEMBL5183961 0.80 BRAF (0.34) PLA2G7ALDH1A1
SCHEMBL2988097 0.77 PTGS2 (0.32) ALDH1A1PTGS2USP2LMNA
SCHEMBL5148381 0.76 BRAF (0.39) PTGS2
SCHEMBL5146010 0.75 POLB (0.35) ALDH1A1ARUSP2LMNAHTT
SCHEMBL5147345 0.75 LMNA (0.37) PLA2G7ALDH1A1ARUSP2LMNA

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