SCHEMBL255078

SCHEMBL255078

Cc1ccccc1CN1CCSC(C(=O)Nc2ccc3[nH]nc(C(=O)O)c3c2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 10/20 0.51
MAPK1 P28482 1/20 0.45
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
GSK3B P49841 2/20 0.39
TTK P33981 1/20 0.39
ROCK2 O75116 2/20 0.38
CCR2 P41597 1/20 0.38
ROCK1 Q13464 1/20 0.38
ULK1 O75385 1/20 0.38

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
SCHEMBL254493 0.90 MAPK1 (0.48) HAO1MAPK1GSK3B
SCHEMBL15021627 0.84 MAPK1 (0.46) MAPK1GSK3B
SCHEMBL176794 0.84 MAPK1 (0.46) MAPK1GSK3B
SCHEMBL15022517 0.81 DYRK1A (0.48) HAO1MAPK1GSK3B
SCHEMBL15043255 0.80 ACHE (0.46) MAPK1GSK3B
SCHEMBL173665 0.78 MAPK1 (0.57) MAPK1
SCHEMBL170950 0.78 MAPK1 (0.57) MAPK1
SCHEMBL175890 0.78 MAPK1 (0.53) MAPK1
SCHEMBL15021799 0.78 MAPK1 (0.53) MAPK1
SCHEMBL173354 0.78 MAPK1 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 WO disclosed