SCHEMBL5205582

SCHEMBL5205582

Nc1ncc(Oc2ccc(Cl)cc2)c(N[C@@H]2CCC[C@@H](O)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 14/20 0.41
MAPK9 P45984 6/20 0.41
SYK P43405 1/20 0.38
TRPV1 Q8NER1 1/20 0.35
IRAK1 P51617 1/20 0.35
KCNH2 Q12809 2/20 0.35
SCN9A Q15858 2/20 0.35
SCN5A Q14524 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CDK9 P50750 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
SCHEMBL1378900 1.00 MAPK8 (0.41) MAPK8MAPK9SYKTRPV1IRAK1
SCHEMBL1378906 1.00 MAPK8 (0.41) MAPK8MAPK9SYKTRPV1IRAK1
SCHEMBL5205593 1.00 MAPK8 (0.41) MAPK8MAPK9SYKTRPV1IRAK1
SCHEMBL1378901 1.00 MAPK8 (0.41) MAPK8MAPK9SYKTRPV1IRAK1
SCHEMBL1377685 0.94 MAPK8 (0.37) MAPK8MAPK9IRAK1KCNH2SCN9A
SCHEMBL1375327 0.94 MAPK8 (0.37) MAPK8MAPK9IRAK1KCNH2SCN9A
SCHEMBL1375330 0.94 MAPK8 (0.37) MAPK8MAPK9IRAK1KCNH2SCN9A
SCHEMBL1377682 0.94 MAPK8 (0.37) MAPK8MAPK9IRAK1KCNH2SCN9A
SCHEMBL1375333 0.94 MAPK8 (0.37) MAPK8MAPK9IRAK1KCNH2SCN9A
SCHEMBL1376484 0.92 MAPK8 (0.38) MAPK8MAPK9SYK

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