SCHEMBL1378595

SCHEMBL1378595

CC(C)(CO)Nc1nc(N)ncc1Oc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NUDT1 P36639 3/20 0.39
SCN9A Q15858 3/20 0.38
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 2/20 0.38
MAPT P10636 2/20 0.38
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
POLB P06746 1/20 0.37
TP53 P04637 2/20 0.36
TLR8 Q9NR97 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL5203524 0.91 TLR8 (0.42) MEN1KMT2ANUDT1SCN9AKCNH2
SCHEMBL5203245 0.88 SCN9A (0.40) MEN1KMT2ANUDT1SCN9AKCNH2
SCHEMBL5205246 0.79 SCN9A (0.45) MEN1KMT2ASCN9AKCNH2SCN5A
SCHEMBL5205013 0.79 KCNH2 (0.40) MEN1KMT2ASCN9AKCNH2SCN5A
SCHEMBL1379499 0.79 MEN1 (0.39) MEN1KMT2ASCN9AKCNH2SCN5A
SCHEMBL1375417 0.78 SCN9A (0.40) MEN1KMT2ASCN9AKCNH2SCN5A
SCHEMBL5207711 0.77 SCN9A (0.43) MEN1KMT2ASCN9AKCNH2SCN5A
SCHEMBL5204086 0.77 SCN9A (0.39) MEN1KMT2ASCN9AKCNH2SCN5A
SCHEMBL1376217 0.77 NUDT1 (0.43) MEN1KMT2ANUDT1SCN9AKCNH2
SCHEMBL5202871 0.76 STK17A (0.42) MEN1KMT2ANUDT1SCN9AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4743463-B2 2011-08-10 JP claimed
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