SCHEMBL5657523

SCHEMBL5657523

CSc1ncc(C(=O)O)c(Nc2cccc(O)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.56
MAPK1 P28482 2/20 0.56
HTT P42858 1/20 0.56
MAPK8 P45983 4/20 0.53
AURKA O14965 2/20 0.50
AURKB Q96GD4 2/20 0.50
CDK19 Q9BWU1 2/20 0.50
PIM1 P11309 2/20 0.49
SRC P12931 4/20 0.48
ABL1 P00519 2/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
MAPK13 O15264 1/20 0.47
PDPK1 O15530 1/20 0.47
DAPK3 O43293 1/20 0.47
DYRK3 O43781 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47

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
SCHEMBL1315419 0.87 SYK (0.55) SYKMAPK1HTTMAPK8MAPK9
SCHEMBL15631820 0.87 SYK (0.73) SYKMAPK1HTTMAPK8EGFR
Fluoride SCHEMBL13518358 0.86 SYK (0.54) SYKMAPK1HTTMAPK8MAPK9
SCHEMBL2627255 0.84 SYK (0.53) SYKMAPK1HTTMAPK8ABL1
SCHEMBL17837358 0.83 SYK (0.52) SYKMAPK1HTTSRCABL1
SCHEMBL15258023 0.82 SYK (0.55) SYKMAPK1HTTSRCJAK2
SCHEMBL13498135 0.80 SYK (0.55) SYKMAPK1HTTEGFRBTK
SCHEMBL5658210 0.80 MAPT (0.54) SYKMAPK1HTTMAPK8AURKA
SCHEMBL2627292 0.80 PDE4B (0.55) SYKMAPK1HTTMAPK8EGFR
SCHEMBL2627183 0.80 SYK (0.48) SYKMAPK1HTTEGFRMEN1

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
US-7176310-B1 Pyrimidinecarboxamide derivatives and their use as anti-inflammatory agents UCB SA (GB) 2007-02-13 US disclosed