SCHEMBL5147462

SCHEMBL5147462

Cc1cc(-c2nc(NCCN3C(=O)NC(C)(C)C3=O)ncc2Br)sc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 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
SCHEMBL5179917 0.93 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL5181987 0.86 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL5146079 0.85 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL2977467 0.84 GRIN1 (0.32) GRIN1GRIN2B
SCHEMBL5148393 0.84 HTT (0.39) ALDH1A1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL5147457 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL5147380 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL5149006 0.82 ADORA1 (0.39) ALDH1A1SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL5145889 0.81 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL5147360 0.81 CYP2A6 (0.35) ALDH1A1SMN1; SMN2RAB9ANPC1HTT

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