SCHEMBL9960037

SCHEMBL9960037

CC(C)Oc1ccc(-n2ncc3cc(C(N)=O)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.54
NR3C1 P04150 12/20 0.47
BTK Q06187 1/20 0.45
PGR P06401 2/20 0.45
PIM3 Q86V86 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
SMO Q99835 2/20 0.43
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL25228277 0.78 SMO (0.48) SMOMAPK8MAPK10CYP11B1CYP11B2
SCHEMBL16292062 0.78 OPRK1 (0.56)
SCHEMBL16292066 0.78 OPRK1 (0.56)
SCHEMBL5381387 0.78 RAB9A (0.59) NR3C1PGRSMOMAPK8MAPK10
SCHEMBL19781171 0.76 PIM3 (0.54) PIM3SMO
SCHEMBL9959878 0.73 MAPK1 (0.52)
SCHEMBL15875013 0.73 HPGD (0.47) NR3C1PIM3SMOMAPK8MAPK10
SCHEMBL2102012 0.72 PARP10 (1.00) PARP10
SCHEMBL1667310 0.72 PLA2G10 (0.55) NR3C1PGRSMOCYP11B1CYP11B2
SCHEMBL19781154 0.72 LRRK2 (0.52) PIM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2654748-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-10-30 EP disclosed
WO-2012087772-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-06-28 WO disclosed