SCHEMBL1379441

SCHEMBL1379441

Nc1ncc(Oc2ccc(F)cc2F)c(NC2CCC(O)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.53
MAPK8 P45983 8/20 0.47
MAPK9 P45984 3/20 0.42
MAPK10 P53779 3/20 0.42
CYP2D6 P10635 2/20 0.41
GPR6 P46095 2/20 0.41
GAK O14976 1/20 0.40
RPS6KA4 O75676 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
MAPK1 P28482 1/20 0.40
CSNK1D P48730 1/20 0.40
RPS6KA3 P51812 1/20 0.40
DDR1 Q08345 1/20 0.40
MAPK11 Q15759 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
COQ8A Q8NI60 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
STK36 Q9NRP7 1/20 0.40
NLK Q9UBE8 1/20 0.40

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
SCHEMBL1379438 1.00 MAPK14 (0.53) MAPK14MAPK8MAPK9MAPK10CYP2D6
SCHEMBL7462213 0.95 MAPK14 (0.49) MAPK14MAPK8MAPK9MAPK10CYP2D6
SCHEMBL7462219 0.95 MAPK14 (0.49) MAPK14MAPK8MAPK9MAPK10CYP2D6
SCHEMBL5203505 0.89 MAPK14 (0.43) MAPK14MAPK8GPR6
SCHEMBL7161091 0.89 MAPK14 (0.43) MAPK14MAPK8MAPK9MAPK10
SCHEMBL5203513 0.89 MAPK14 (0.43) MAPK14MAPK8GPR6
SCHEMBL7161086 0.89 MAPK14 (0.43) MAPK14MAPK8MAPK9MAPK10
SCHEMBL1379044 0.86 MAPK14 (0.39) MAPK14MAPK8MAPK9MAPK10
SCHEMBL1379042 0.86 MAPK14 (0.39) MAPK14MAPK8MAPK9MAPK10
SCHEMBL5204420 0.85 LCK (0.46) MAPK14

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 9 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
JP-2002541245-A 2002-12-03 JP claimed
EP-1165523-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP claimed
WO-2000061562-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-19 WO 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