SCHEMBL1379499

SCHEMBL1379499

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KCNH2 Q12809 2/20 0.38
SCN9A Q15858 2/20 0.38
SCN5A Q14524 1/20 0.38
CCNC P24863 3/20 0.38
CDK8 P49336 3/20 0.38
MAPT P10636 2/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
POLB P06746 1/20 0.37
P2RX3 P56373 5/20 0.36
P2RX2 Q9UBL9 5/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 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
SCHEMBL1375417 0.88 SCN9A (0.40) MEN1KMT2AKCNH2SCN9ASCN5A
Hydrochloric Acid SCHEMBL5209419 0.85 KDM4E (0.43) MEN1KMT2AKCNH2SCN9ASCN5A
SCHEMBL5203531 0.84 CYP2D6 (0.39) MEN1KMT2AKCNH2SCN9ASCN5A
Hydrochloric Acid SCHEMBL5205951 0.80 KCNH2 (0.40) MEN1KMT2AKCNH2SCN9ASCN5A
SCHEMBL5205051 0.80 SCN9A (0.38) MEN1KMT2AKCNH2SCN9ASCN5A
SCHEMBL5205246 0.79 SCN9A (0.45) MEN1KMT2AKCNH2SCN9ASCN5A
SCHEMBL5205013 0.79 KCNH2 (0.40) MEN1KMT2AKCNH2SCN9ASCN5A
SCHEMBL1378595 0.79 MEN1 (0.39) MEN1KMT2AKCNH2SCN9ASCN5A
SCHEMBL5203524 0.79 TLR8 (0.42) MEN1KMT2AKCNH2SCN9ASCN5A
SCHEMBL5204141 0.78 KCNH2 (0.36) MEN1KMT2AKCNH2SCN9ASCN5A

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