SCHEMBL5205013

SCHEMBL5205013

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
SCN9A Q15858 3/20 0.40
SCN5A Q14524 2/20 0.40
CCNT1 O60563 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CDK9 P50750 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
VCAM1 P19320 1/20 0.39
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
CYP2D6 P10635 2/20 0.37

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
SCHEMBL1376217 0.93 NUDT1 (0.43) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL5202871 0.91 STK17A (0.42) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL1376097 0.90 STK17A (0.41) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL5204559 0.90 STK17A (0.41) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL1376082 0.90 STK17A (0.41) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL7708449 0.89 NPC1 (0.45) KCNH2SCN9ASCN5ACCNT1CCNC
Hydrochloric Acid SCHEMBL7714006 0.88 KDM4E (0.44) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL1375420 0.88 KCNH2 (0.38) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL5206828 0.87 MAPT (0.39) MEN1KMT2ANPC1ICAM1SELE
SCHEMBL5205294 0.87 MMP13 (0.40) KCNH2SCN9ASCN5AMEN1KMT2A

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