SCHEMBL5147302

SCHEMBL5147302

CC1(C)NC(=O)N(CCNc2ncc(Br)c(-c3cc4cc([N+](=O)[O-])ccc4s3)n2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
POLB P06746 2/20 0.35
HTT P42858 2/20 0.35
GSK3B P49841 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 2/20 0.33
RIPK1 Q13546 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
UTS2R Q9UKP6 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL5146010 0.88 POLB (0.35) ALDH1A1L3MBTL1SMN1; SMN2POLBHTT
SCHEMBL5147313 0.88 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL5147380 0.87 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTLMNARAB9A
SCHEMBL2976991 0.86 POLB (0.35) ALDH1A1SMN1; SMN2POLBGSK3BLMNA
SCHEMBL5148335 0.86 PDE3B (0.36) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL5147509 0.86 ALDH1A1 (0.38) ALDH1A1L3MBTL1SMN1; SMN2POLBHTT
SCHEMBL5145889 0.83 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HTTLMNAKMT2A
SCHEMBL5148348 0.82 GAA (0.37) ALDH1A1SMN1; SMN2HTTLMNARAB9A
SCHEMBL5147498 0.82 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL5149190 0.82 ALOX15 (0.38) ALDH1A1SMN1; SMN2HTTLMNAMAPT

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