SCHEMBL5203513

SCHEMBL5203513

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.43
GPR6 P46095 1/20 0.40
SGK1 O00141 1/20 0.38
MAPK8 P45983 1/20 0.37
MERTK Q12866 4/20 0.37
FLT3 P36888 3/20 0.37
TYRO3 Q06418 3/20 0.37
GAS6 Q14393 3/20 0.37
MET P08581 1/20 0.37
ADORA1 P30542 1/20 0.37
FYN P06241 1/20 0.37
AXL P30530 1/20 0.36
CHUK O15111 1/20 0.35
EGFR P00533 1/20 0.35
INSR P06213 1/20 0.35
LCK P06239 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
CSNK2A1 P68400 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5203505 1.00 MAPK14 (0.43) MAPK14GPR6SGK1MAPK8MERTK
SCHEMBL1377646 0.89 MAPK14 (0.39) MAPK14GPR6MERTKFLT3TYRO3
SCHEMBL1377648 0.89 MAPK14 (0.39) MAPK14GPR6MERTKFLT3TYRO3
SCHEMBL5203216 0.89 MERTK (0.39) MAPK14SGK1MERTKFLT3TYRO3
SCHEMBL5203220 0.89 MERTK (0.39) MAPK14SGK1MERTKFLT3TYRO3
SCHEMBL1379438 0.89 MAPK14 (0.53) MAPK14GPR6MAPK8
SCHEMBL1379441 0.89 MAPK14 (0.53) MAPK14GPR6MAPK8
Hydrochloric Acid SCHEMBL5207002 0.88 MERTK (0.38) MAPK14SGK1MERTKFLT3TYRO3
Hydrochloric Acid SCHEMBL5206994 0.88 MERTK (0.38) MAPK14SGK1MERTKFLT3TYRO3
SCHEMBL1376409 0.88 MERTK (0.39) MAPK14MERTKFLT3TYRO3GAS6

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