SCHEMBL5206576

SCHEMBL5206576

Nc1ncc(Oc2ccc(Cl)cc2)c(NCC2(O)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.38
KCNH2 Q12809 4/20 0.38
SCN5A Q14524 3/20 0.38
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
MAPT P10636 3/20 0.35
BTK Q06187 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
TTBK1 Q5TCY1 1/20 0.34
TTBK2 Q6IQ55 1/20 0.34
LTA4H P09960 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1375573 0.95 SCN9A (0.37) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL1376021 0.95 SCN9A (0.36) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL1377846 0.94 SCN9A (0.38) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL1376214 0.88 CCNT1 (0.31) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL1376212 0.88 CCNT1 (0.31) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL5205013 0.81 KCNH2 (0.40) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL5207523 0.79 CCNC (0.39) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL1376217 0.79 NUDT1 (0.43) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL5205246 0.79 SCN9A (0.45) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL5202871 0.78 STK17A (0.42) SCN9AKCNH2SCN5ACCNCCDK8

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