SCHEMBL5147391

SCHEMBL5147391

CN(c1ccc(F)cc1)c1nnc(-c2nc(NCCN3C(=O)NC(C)(C)C3=O)ncc2Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.38
HTT P42858 1/20 0.34
ALDH1A1 P00352 7/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 2/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 2/20 0.31
LMNA P02545 2/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NMT2 O60551 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
SCHEMBL2983794 0.87 MEN1 (0.31) ALDH1A1MEN1KMT2ALMNAUSP2
SCHEMBL5147401 0.82 PLA2G7 (0.39) PLA2G7ALDH1A1MEN1KMT2ALMNA
SCHEMBL5146036 0.81 HTT (0.35) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28770422 0.78 NMT2 (0.33) NMT2NMT1
SCHEMBL5148970 0.76 ALDH1A1 (0.34) PLA2G7HTTALDH1A1SMN1; SMN2GAA
SCHEMBL5147336 0.73 PLA2G7 (0.35) PLA2G7HTTALDH1A1SMN1; SMN2MEN1
SCHEMBL5147385 0.73 MAPK1 (0.35) HTTALDH1A1MEN1KMT2AGAA
SCHEMBL5149162 0.72 PLA2G7 (0.40) PLA2G7ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5147424 0.72 PLA2G7 (0.35) PLA2G7ALDH1A1
SCHEMBL5147316 0.71 PLA2G7 (0.39) PLA2G7ALDH1A1SMN1; SMN2MEN1KMT2A

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