SCHEMBL14600243

SCHEMBL14600243

COc1ccc(Nc2cc(C(C)(C)C)nn2-c2ccncc2)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.53
MAPK14 Q16539 12/20 0.52
MAPK13 O15264 5/20 0.52
MAPK12 P53778 5/20 0.52
MAPK11 Q15759 4/20 0.52
ADORA1 P30542 2/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
GSK3A P49840 1/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
PTK2 Q05397 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NTRK1 P04629 1/20 0.43
NTRK2 Q16620 1/20 0.43

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
SCHEMBL5008418 0.92 GFER (0.60) GFERMAPK14MAPK13MAPK12MAPK11
SCHEMBL4664181 0.87 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL14600246 0.87 MAPK13 (0.53) GFERMAPK14MAPK13MAPK12MAPK11
SCHEMBL14600184 0.85 ADORA1 (0.49) GFERMAPK14MAPK13MAPK12MAPK11
SCHEMBL14600443 0.85 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL14600238 0.85 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL14600240 0.84 MAPK14 (0.62) GFERMAPK14MAPK13MAPK12MAPK11
SCHEMBL5007787 0.83 ADORA1 (0.52) GFERMAPK14MAPK13MAPK12MAPK11
SCHEMBL5008343 0.83 MEN1 (0.50) GFERMAPK14MAPK13MAPK12MAPK11
SCHEMBL5012181 0.82 ADORA1 (0.51) GFERMAPK14MAPK13MAPK12MAPK11

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-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed