SCHEMBL5205128

SCHEMBL5205128

CCc1ccc(Oc2cnc(N)nc2NC2CCC(O)CC2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.42
MERTK Q12866 6/20 0.39
FLT3 P36888 5/20 0.39
TYRO3 Q06418 5/20 0.39
GAS6 Q14393 5/20 0.39
AXL P30530 1/20 0.38
CCNT1 O60563 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

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
SCHEMBL5205130 1.00 PDE5A (0.42) PDE5AMERTKFLT3TYRO3GAS6
SCHEMBL1377648 0.92 MAPK14 (0.39) PDE5AMERTKFLT3TYRO3GAS6
SCHEMBL1377646 0.92 MAPK14 (0.39) PDE5AMERTKFLT3TYRO3GAS6
SCHEMBL5203220 0.87 MERTK (0.39) MERTKFLT3TYRO3GAS6AXL
SCHEMBL5203216 0.87 MERTK (0.39) MERTKFLT3TYRO3GAS6AXL
Hydrochloric Acid SCHEMBL5207002 0.86 MERTK (0.38) PDE5AMERTKFLT3TYRO3GAS6
Hydrochloric Acid SCHEMBL5206994 0.86 MERTK (0.38) PDE5AMERTKFLT3TYRO3GAS6
SCHEMBL7161091 0.85 MAPK14 (0.43) MERTKFLT3TYRO3GAS6AXL
SCHEMBL7161086 0.85 MAPK14 (0.43) MERTKFLT3TYRO3GAS6AXL
SCHEMBL7157258 0.85 MERTK (0.42) MERTKFLT3TYRO3GAS6AXL

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