SCHEMBL4697153

SCHEMBL4697153

C[C@@H]1CN(c2nc(N)nc(N)c2CC2CC2)CCN1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.42
KIT P10721 1/20 0.36
DHFR P00374 1/20 0.35
PRKCQ Q04759 2/20 0.34
NUDT1 P36639 1/20 0.32
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
HTR1A P08908 2/20 0.31
HTR1D P28221 2/20 0.31
HTR1B P28222 2/20 0.31
PRKCI P41743 1/20 0.30
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 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
SCHEMBL1774930 1.00 HRH4 (0.42) HRH4KITDHFRPRKCQNUDT1
SCHEMBL1774270 0.85 HRH4 (0.44) HRH4KITDHFRPRKCQNUDT1
SCHEMBL1775193 0.85 HRH4 (0.44) HRH4KITDHFRPRKCQNUDT1
SCHEMBL1773848 0.85 HRH4 (0.44) HRH4KITDHFRPRKCQNUDT1
SCHEMBL1773986 0.83 HRH4 (0.43) HRH4KITPRKCQNUDT1MAPK13
SCHEMBL603504 0.83 HRH4 (0.43) HRH4KITPRKCQNUDT1MAPK13
SCHEMBL1775561 0.83 HRH4 (0.43) HRH4KITPRKCQNUDT1MAPK13
SCHEMBL1774922 0.82 HRH4 (0.43) HRH4DHFR
SCHEMBL1773517 0.80 HRH4 (0.41) HRH4KITPRKCQNUDT1MAPK13
SCHEMBL1774470 0.80 HRH4 (0.41) HRH4KITPRKCQNUDT1MAPK13

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-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed
EP-1966162-A2 PYRIMIDINE DERIVATIVES Pfizer Limited (GB) 2008-09-10 EP disclosed
WO-2007072163-A2 PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-06-28 WO disclosed