SCHEMBL5148335

SCHEMBL5148335

COc1ccc2sc(-c3nc(NCCN4C(=O)NC(C)(C)C4=O)ncc3Br)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ALDH1A1 P00352 12/20 0.36
PLA2G7 Q13093 1/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL5147498 0.94 ALDH1A1 (0.36) ALDH1A1PLA2G7MAPK1SMN1; SMN2GAA
SCHEMBL5147318 0.91 GAA (0.40) ALDH1A1PLA2G7MAPK1SMN1; SMN2GAA
SCHEMBL5148348 0.89 GAA (0.37) ALDH1A1PLA2G7MAPK1SMN1; SMN2GAA
SCHEMBL5149190 0.89 ALOX15 (0.38) ALDH1A1PLA2G7MAPK1SMN1; SMN2GAA
SCHEMBL5147313 0.88 ALDH1A1 (0.35) ALDH1A1PLA2G7MAPK1SMN1; SMN2KDM4E
SCHEMBL5147311 0.88 LMNA (0.37) PDE3BPDE3AALDH1A1PLA2G7MAPK1
SCHEMBL5147449 0.88 GAA (0.38) ALDH1A1PLA2G7MAPK1SMN1; SMN2GAA
SCHEMBL5147380 0.87 ALDH1A1 (0.40) ALDH1A1MAPK1SMN1; SMN2GAALMNA
SCHEMBL5145975 0.87 ALOX15 (0.37) ALDH1A1PLA2G7MAPK1SMN1; SMN2GAA
SCHEMBL5147302 0.86 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KDM4ELMNANPC1

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