SCHEMBL2011959

SCHEMBL2011959

O=c1ccc2cnc(CC3CCOC3)nc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.39
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
HCAR1 Q9BXC0 1/20 0.34
MTOR P42345 2/20 0.33
MCHR1 Q99705 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
NLRP3 Q96P20 1/20 0.32
GRM4 Q14833 1/20 0.32
DRD4 P21917 1/20 0.32
ENPP1 P22413 2/20 0.32

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
SCHEMBL30850747 0.81 MAPK8 (0.42) XDHMAPK8MAPK9MAPK10CCNA2
SCHEMBL30850796 0.79 MAPK8 (0.41) XDHMAPK8MAPK9MAPK10HCAR1
SCHEMBL30479324 0.79 TYRO3 (0.42) XDHMTORTLR7NLRP3DRD4
SCHEMBL1982195 0.78 PDE9A (0.42) MAPK8MAPK9MAPK10ALDH1A1LMNA
SCHEMBL4724993 0.75 MAPK8 (0.38) XDHMAPK8MAPK9MAPK10HCAR1
SCHEMBL17910173 0.75 RIPK2 (0.47) MAPK8MAPK9MAPK10HCAR1MTOR
SCHEMBL16993087 0.73 MAPK8 (0.55) MAPK8MAPK9MAPK10CCNA2CDK2
SCHEMBL30850695 0.73 MAPK8 (0.42) MAPK8MAPK9MAPK10HCAR1MTOR
SCHEMBL25258670 0.72 ACACB (0.39) MAPK8MAPK9MAPK10HCAR1HTR1A
SCHEMBL25302241 0.72 ACACB (0.39) MAPK8MAPK9MAPK10HCAR1HTR1A

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-2074122-B9 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PROD INC (US) 2013-09-11 EP disclosed
EP-2074122-B1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PROD INC (US) 2011-06-29 EP disclosed