SCHEMBL5202820

SCHEMBL5202820

Nc1ncc(Oc2ccc(Cl)cc2)c(NC2CCCCC2O)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.39
CSF1R P07333 10/20 0.38
PDGFRB P09619 9/20 0.38
PDGFRA P16234 8/20 0.38
KIT P10721 7/20 0.38
FLT3 P36888 7/20 0.38
MAPK8 P45983 1/20 0.38
KCNH2 Q12809 2/20 0.36
SCN9A Q15858 2/20 0.36
SCN5A Q14524 1/20 0.36

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
SCHEMBL5206452 1.00 KDM4E (0.41) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL5202818 1.00 KDM4E (0.41) KDM4EMEN1NPC1MAPTKMT2A
Hydrochloric Acid SCHEMBL5204803 0.99 KDM4E (0.40) KDM4EMEN1NPC1MAPTKMT2A
Hydrochloric Acid SCHEMBL5204801 0.99 KDM4E (0.40) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL1376073 0.98 KDM4E (0.39) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL1376071 0.98 KDM4E (0.39) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL1376228 0.98 KDM4E (0.39) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL1376484 0.91 MAPK8 (0.38) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL1376481 0.91 MAPK8 (0.38) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL1375470 0.88 CNR1 (0.35) KDM4EMEN1NPC1MAPTKMT2A

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 claimed
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 claimed
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