SCHEMBL5203220

SCHEMBL5203220

Nc1ncc(Oc2ccc(Cl)cc2Cl)c(N[C@H]2CC[C@H](O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 4/20 0.39
AXL P30530 1/20 0.39
FLT3 P36888 3/20 0.38
TYRO3 Q06418 3/20 0.38
GAS6 Q14393 3/20 0.38
ADORA1 P30542 1/20 0.38
HPGD P15428 2/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
TTR P02766 1/20 0.37
PGR P06401 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPT P10636 1/20 0.37
HSPA5 P11021 1/20 0.37
CBR1 P16152 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
AGTR1 P30556 1/20 0.37
SLC6A3 Q01959 1/20 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
SCHEMBL5203216 1.00 MERTK (0.39) MERTKAXLFLT3TYRO3GAS6
Hydrochloric Acid SCHEMBL5207002 0.99 MERTK (0.38) MERTKAXLFLT3TYRO3GAS6
Hydrochloric Acid SCHEMBL5206994 0.99 MERTK (0.38) MERTKAXLFLT3TYRO3GAS6
SCHEMBL5203513 0.89 MAPK14 (0.43) MERTKAXLFLT3TYRO3GAS6
SCHEMBL1376409 0.89 MERTK (0.39) MERTKAXLFLT3TYRO3GAS6
SCHEMBL1376410 0.89 MERTK (0.39) MERTKAXLFLT3TYRO3GAS6
SCHEMBL7161091 0.89 MAPK14 (0.43) MERTKAXLFLT3TYRO3GAS6
SCHEMBL5203505 0.89 MAPK14 (0.43) MERTKAXLFLT3TYRO3GAS6
SCHEMBL7161086 0.89 MAPK14 (0.43) MERTKAXLFLT3TYRO3GAS6
SCHEMBL5205128 0.87 PDE5A (0.42) MERTKAXLFLT3TYRO3GAS6

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 7 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
EP-1165523-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP disclosed
WO-2000061562-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-19 WO disclosed