SCHEMBL13734827

SCHEMBL13734827

CS(=O)(=O)c1cccc(-c2ccnn2-c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.56
JAK3 P52333 7/20 0.56
PTK2 Q05397 6/20 0.56
PTGS2 P35354 3/20 0.56
PTGS1 P23219 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CG P48736 1/20 0.50
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
ATR Q13535 2/20 0.45
ACVR1 Q04771 2/20 0.44
ATRIP Q8WXE1 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
AKR1C3 P42330 1/20 0.43
MTOR P42345 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
SCHEMBL27948421 0.86 JAK2 (0.48) JAK2JAK3PTK2PTGS2PTGS1
SCHEMBL13735481 0.79 KDM5A (0.47) PTGS2
SCHEMBL13735826 0.79 CNR2 (0.51) PTGS2PKMTSHRAKR1C3
SCHEMBL13736618 0.79 LRRK2 (0.47) PTGS2PTGS1
SCHEMBL13736077 0.79 PIK3CD (0.53) PTGS2
SCHEMBL13737299 0.79 CYP1A2 (0.51) PTGS2PIK3CATSHR
SCHEMBL13736967 0.78 PTGS2 (0.60) JAK2PTGS2PKMTSHR
SCHEMBL27948420 0.77
SCHEMBL27932710 0.77 PTGS2 (0.45) JAK2JAK3PTGS2PTGS1CA1
SCHEMBL13734495 0.76 LRRK2 (0.48) JAK2JAK3PTK2PTGS2PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103492389-A Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors ORIGENIS GMBH 2014-01-01 CN claimed
CN-103492389-B Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases 原真股份有限公司 2016-09-14 CN disclosed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
CN-103492389-A Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors ORIGENIS GMBH 2014-01-01 CN disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed