SCHEMBL5311347

SCHEMBL5311347

NC(=O)N(c1ncc(Br)s1)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
LTC4S Q16873 5/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
RORB Q92753 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PARP1 P09874 1/20 0.32
MAPK1 P28482 1/20 0.32
MPL P40238 1/20 0.32
GPBAR1 Q8TDU6 2/20 0.31
PLK1 P53350 2/20 0.31
KIF11 P52732 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
SCHEMBL27672611 0.83 MPL (0.33) KMT2ALTC4SCA12CA1CA2
SCHEMBL27672595 0.81 FEN1 (0.42) ALOX5APFEN1
SCHEMBL27652411 0.77 ALOX5AP (0.36) LTC4SALOX5APFEN1
SCHEMBL27652401 0.76 ALOX5AP (0.41) ALOX5APFEN1
SCHEMBL27652410 0.76 ALOX5AP (0.34) LTC4SALOX5APFEN1
SCHEMBL27760010 0.74 DGAT1 (0.41) KMT2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL27551009 0.71 SNCA (0.36) HDAC1CA1CA2
SCHEMBL4798418 0.70 GAA (0.36) KMT2ALTC4SCA12CA1CA2
SCHEMBL27572609 0.70 MAPK14 (0.34) KMT2A
SCHEMBL27551080 0.70 FFAR2 (0.38) MAPK1

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
CN-1917879-A Pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2007-02-21 CN disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed