SCHEMBL11963802

SCHEMBL11963802

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-n2nc(Nc3cnccn3)c3ccccc32)ccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.43
PARP1 P09874 1/20 0.43
MAPK8 P45983 1/20 0.40
GPR119 Q8TDV5 3/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
RET P07949 2/20 0.36
SPR P35270 1/20 0.35
LRRK2 Q5S007 1/20 0.32
GRM2 Q14416 1/20 0.32
IGF1R P08069 1/20 0.32
HSD11B1 P28845 1/20 0.32
IDH1 O75874 1/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 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
SCHEMBL11963801 1.00 HDAC1 (0.43) HDAC1PARP1MAPK8GPR119JAK2
SCHEMBL11963126 0.91 PARP1 (0.43) HDAC1PARP1MAPK8GPR119JAK2
SCHEMBL11963125 0.91 PARP1 (0.43) HDAC1PARP1MAPK8GPR119JAK2
SCHEMBL11963110 0.90 MAPK8 (0.41) HDAC1PARP1MAPK8GPR119JAK2
SCHEMBL11963162 0.90 HDAC1 (0.41) HDAC1PARP1MAPK8GPR119JAK2
SCHEMBL11963365 0.89 HDAC1 (0.33) HDAC1JAK2JAK1IGF1RRAB9A
SCHEMBL11963337 0.88 MAPK8 (0.42) HDAC1PARP1MAPK8GPR119JAK2
SCHEMBL11963133 0.88 MAPK8 (0.38) HDAC1PARP1MAPK8GPR119JAK2
SCHEMBL11963307 0.85 MAPK8 (0.40) HDAC1PARP1MAPK8GPR119JAK2
SCHEMBL11963423 0.85 MAPK8 (0.40) HDAC1PARP1MAPK8GPR119JAK2

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
EP-2489663-A1 Compounds as syk kinase inhibitors Almirall, S.A. (ES) 2012-08-22 EP disclosed