SCHEMBL5209213

SCHEMBL5209213

CCCCc1ccc(Oc2cnc(N)nc2NC2CCC(O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 20/20 0.47
MERTK Q12866 20/20 0.47
GAS6 Q14393 20/20 0.47
FLT3 P36888 18/20 0.47
AXL P30530 3/20 0.41

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
SCHEMBL5209220 1.00 TYRO3 (0.47) TYRO3MERTKGAS6FLT3AXL
SCHEMBL1378749 0.94 TYRO3 (0.43) TYRO3MERTKGAS6FLT3AXL
SCHEMBL1378746 0.94 TYRO3 (0.43) TYRO3MERTKGAS6FLT3AXL
SCHEMBL7157258 0.90 MERTK (0.42) TYRO3MERTKGAS6FLT3AXL
SCHEMBL7157262 0.90 MERTK (0.42) TYRO3MERTKGAS6FLT3AXL
Hydrochloric Acid SCHEMBL5203349 0.89 MERTK (0.41) TYRO3MERTKGAS6FLT3AXL
Hydrochloric Acid SCHEMBL5203355 0.89 MERTK (0.41) TYRO3MERTKGAS6FLT3AXL
SCHEMBL1379026 0.84 MAPT (0.44) TYRO3MERTKGAS6FLT3AXL
SCHEMBL1379021 0.84 MAPT (0.44) TYRO3MERTKGAS6FLT3AXL
SCHEMBL1379676 0.84 BTK (0.41) TYRO3MERTKGAS6FLT3AXL

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