SCHEMBL5148347

SCHEMBL5148347

CC(C)N1Cc2cc(-c3nc(NCCN4C(=O)NC(C)(C)C4=O)ncc3Br)sc2C(c2ccccc2)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.30
MAPK1 P28482 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2986238 0.89
SCHEMBL5147297 0.86 ALDH1A1 (0.34) ALDH1A1HTTMAPK1SMN1; SMN2
SCHEMBL5149183 0.81 ALDH1A1 (0.32) ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL2977573 0.79
SCHEMBL5147380 0.78 ALDH1A1 (0.40) ALDH1A1HTTMAPK1MAPTSMN1; SMN2
SCHEMBL5147364 0.75 ALDH1A1 (0.34) ALDH1A1HTTMAPK1MAPTSMN1; SMN2
SCHEMBL2981942 0.75 SLC6A4 (0.31)
SCHEMBL5179917 0.74 ALDH1A1 (0.40) ALDH1A1HTTMAPK1MAPTSMN1; SMN2
SCHEMBL5147417 0.73 ALDH1A1 (0.38) ALDH1A1HTTMAPK1MAPTSMN1; SMN2
SCHEMBL5147377 0.73 ALOX15 (0.34) ALDH1A1HTTMAPTSMN1; SMN2

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