SCHEMBL5147313

SCHEMBL5147313

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 2/20 0.33
ABL1 P00519 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PLA2G7 Q13093 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL5147380 0.89 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5148335 0.88 PDE3B (0.36) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5147302 0.88 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5147360 0.87 CYP2A6 (0.35) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5147318 0.86 GAA (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL2986248 0.85 ABL1 (0.31) ABL1
SCHEMBL5145889 0.85 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5147363 0.85 IKBKB (0.36) ALDH1A1SMN1; SMN2HTTPLA2G7LMNA
SCHEMBL5148348 0.84 GAA (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5147498 0.84 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2NPC1RAB9AHTT

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 4 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 claimed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO claimed
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