SCHEMBL5147380

SCHEMBL5147380

CC1(C)NC(=O)N(CCNc2ncc(Br)c(-c3cc4ccccc4s3)n2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.33
MERTK Q12866 1/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PRKDC P78527 1/20 0.33
PIK3R1 P27986 1/20 0.33
IKBKB O14920 2/20 0.33
CHUK O15111 2/20 0.33
IKBKG Q9Y6K9 2/20 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
SCHEMBL5148423 0.91 FPR2 (0.34) ALDH1A1LMNAMERTKPIK3CAPIK3CD
SCHEMBL5145889 0.90 ALDH1A1 (0.35) ALDH1A1LMNAHTTTSHRMAPK1
SCHEMBL5147360 0.90 CYP2A6 (0.35) ALDH1A1HTTNPC1SMN1; SMN2RAB9A
SCHEMBL5147313 0.89 ALDH1A1 (0.35) ALDH1A1LMNAHTTTSHRMAPK1
SCHEMBL5183786 0.88 USP2 (0.33) LMNATSHRMERTKPIK3CAPIK3CD
SCHEMBL5147498 0.88 ALDH1A1 (0.36) ALDH1A1LMNAHTTTSHRMAPK1
SCHEMBL5148335 0.87 PDE3B (0.36) ALDH1A1LMNAHTTMAPK1NPC1
SCHEMBL5147302 0.87 ALDH1A1 (0.36) ALDH1A1LMNAHTTNPC1SMN1; SMN2
SCHEMBL5148393 0.86 HTT (0.39) ALDH1A1LMNAHTTTSHRMAPK1
SCHEMBL2975235 0.85 MERTK (0.34) MERTKPIK3CAPIK3CDPIK3CBPIK3CG

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