SCHEMBL13736618

SCHEMBL13736618

CSc1cccc(-c2ccnn2-c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.47
PTGS2 P35354 3/20 0.43
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
PIK3CD O00329 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AR P10275 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
DGAT1 O75907 1/20 0.38
PDE7A Q13946 1/20 0.37
PDE3A Q14432 1/20 0.37
PDE10A Q9Y233 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL13733687 0.89 MAP4K1 (0.42) LRRK2PIK3CDALDH1A1SMN1; SMN2MAPK8
SCHEMBL13735826 0.81 CNR2 (0.51) LRRK2PTGS2ALDH1A1SMN1; SMN2DGAT1
SCHEMBL13735481 0.81 KDM5A (0.47) LRRK2PTGS2PIK3CDALDH1A1SMN1; SMN2
SCHEMBL13736077 0.81 PIK3CD (0.53) PTGS2PIK3CDALDH1A1SMN1; SMN2PDE7A
SCHEMBL13737299 0.81 CYP1A2 (0.51) LRRK2PTGS2ALDH1A1DGAT1
SCHEMBL13736967 0.80 PTGS2 (0.60) PTGS2ALDH1A1SMN1; SMN2ARMAPK9
SCHEMBL13734827 0.79 JAK2 (0.56) PTGS2PTGS1
SCHEMBL13734495 0.78 LRRK2 (0.48) LRRK2PTGS2ALDH1A1SMN1; SMN2MAPK10
SCHEMBL13734373 0.78 PTGS2 (0.43) PTGS2PIK3CDALDH1A1SMN1; SMN2AR
SCHEMBL13736564 0.78 CNR2 (0.54) PTGS2ALDH1A1SMN1; SMN2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP claimed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO claimed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed