SCHEMBL5202933

SCHEMBL5202933

CC(C)N(C=Nc1ncc(Oc2ccc(Cl)cc2)c(Cl)n1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
HTR2A P28223 3/20 0.33
SLC6A4 P31645 3/20 0.33
CYP1A2 P05177 3/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
CCNC P24863 3/20 0.32
CDK8 P49336 3/20 0.32
HTT P42858 2/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL5202927 1.00 L3MBTL1 (0.35) L3MBTL1MEN1KMT2APOLBHTR2A
SCHEMBL5202101 0.78 MERTK (0.34) CCNCCDK8
SCHEMBL5202107 0.78 MERTK (0.34) CCNCCDK8
SCHEMBL7714697 0.77 KDM4E (0.38) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7716638 0.77 LMNA (0.37) KMT2AKDM4EALDH1A1MAPTHTT
SCHEMBL7510875 0.76 RXFP1 (0.41) L3MBTL1MEN1KMT2APOLBSLC6A4
SCHEMBL7510880 0.76 RXFP1 (0.41) L3MBTL1MEN1KMT2APOLBSLC6A4
SCHEMBL5206672 0.75 PTGS1 (0.33) L3MBTL1HTR2ASLC6A4KDM4EALDH1A1
SCHEMBL5206665 0.75 PTGS1 (0.33) L3MBTL1HTR2ASLC6A4KDM4EALDH1A1
SCHEMBL3248475 0.75 KDM4E (0.33) KDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP disclosed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US disclosed
EP-1165523-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP disclosed
WO-2000061562-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-19 WO disclosed