SCHEMBL5202095

SCHEMBL5202095

CC(C)N(/C=N/c1ncc(Oc2ccc(Cl)cc2)c(NC2CCC(O)CC2)n1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 8/20 0.34
TYRO3 Q06418 7/20 0.34
FLT3 P36888 4/20 0.34
GAS6 Q14393 4/20 0.34
BTK Q06187 3/20 0.34
EGLN1 Q9GZT9 1/20 0.33
AXL P30530 3/20 0.32
LCK P06239 2/20 0.31
EGFR P00533 1/20 0.31
INSR P06213 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
MAPK8 P45983 2/20 0.31
MAPK9 P45984 2/20 0.31
CCNT1 O60563 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 0.31

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
SCHEMBL5202101 1.00 MERTK (0.34) MERTKTYRO3FLT3GAS6BTK
SCHEMBL5202107 1.00 MERTK (0.34) MERTKTYRO3FLT3GAS6BTK
SCHEMBL3254181 0.81 MERTK (0.34) MERTKTYRO3FLT3GAS6AXL
SCHEMBL3254176 0.81 MERTK (0.34) MERTKTYRO3FLT3GAS6AXL
SCHEMBL3254180 0.81 MERTK (0.34) MERTKTYRO3FLT3GAS6AXL
SCHEMBL5202927 0.78 L3MBTL1 (0.35) CCNCCDK8
SCHEMBL5202933 0.78 L3MBTL1 (0.35) CCNCCDK8
SCHEMBL1376243 0.76 BTK (0.40) MERTKTYRO3FLT3GAS6BTK
SCHEMBL5203150 0.76 BTK (0.40) MERTKTYRO3FLT3GAS6BTK
SCHEMBL1376242 0.76 BTK (0.40) MERTKTYRO3FLT3GAS6BTK

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 3 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 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