SCHEMBL4974698

SCHEMBL4974698

CC1(O)CCN(c2nc(Cl)nc(Cl)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
STK4 Q13043 1/20 0.33
STK3 Q13188 1/20 0.33
PTPN11 Q06124 1/20 0.33
PDE10A Q9Y233 1/20 0.32
KHK P50053 2/20 0.31
MAT2A P31153 1/20 0.31
MAPT P10636 1/20 0.30
ATR Q13535 1/20 0.30
ATRIP Q8WXE1 1/20 0.30

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
SCHEMBL1190693 0.91 KHK (0.38) KHKMAT2A
SCHEMBL31451512 0.82 KHK (0.33) KHKMAT2A
SCHEMBL25488892 0.80 STK4 (0.36) SMN1; SMN2STK4STK3PTPN11PDE10A
SCHEMBL29235112 0.78 SMN1; SMN2 (0.37) SMN1; SMN2STK4STK3PTPN11PDE10A
SCHEMBL4972192 0.77 SMN1; SMN2 (0.31) SMN1; SMN2STK4STK3PTPN11
SCHEMBL1188498 0.74 KHK (0.35) KHKMAT2A
SCHEMBL2337541 0.73 SMN1; SMN2 (0.44) SMN1; SMN2MAPT
SCHEMBL30741898 0.72 PTPN11 (0.36) SMN1; SMN2STK4STK3PTPN11PDE10A
SCHEMBL29235093 0.71 MAT2A (0.40) SMN1; SMN2KHKMAT2A
SCHEMBL4975153 0.71 MAOB (0.36) SMN1; SMN2PDE10AATRATRIP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008132502-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-06 WO disclosed