SCHEMBL4972192

SCHEMBL4972192

CC1(O)CCN(c2nc(Cl)nc(Cl)c2F)CC1.CCN(c1ncc(F)cc1F)c1nc(Cl)nc(N2CCC(C)(O)CC2)c1F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31
STK4 Q13043 1/20 0.31
STK3 Q13188 1/20 0.31
PTPN11 Q06124 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
SCHEMBL4972260 0.89
SCHEMBL4972475 0.84 CNR2 (0.31) SMN1; SMN2STK4STK3
SCHEMBL4974698 0.77 SMN1; SMN2 (0.35) SMN1; SMN2STK4STK3PTPN11
SCHEMBL4974375 0.73 JAK2 (0.36)
SCHEMBL1190693 0.70 KHK (0.38)
SCHEMBL4972492 0.68 JAK2 (0.36) STK4STK3
SCHEMBL29235112 0.67 SMN1; SMN2 (0.37) SMN1; SMN2STK4STK3PTPN11
SCHEMBL5011620 0.65 ABL1 (0.41) SMN1; SMN2
SCHEMBL31451512 0.64 KHK (0.33)
SCHEMBL30741898 0.62 PTPN11 (0.36) SMN1; SMN2STK4STK3PTPN11

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