SCHEMBL13734737

SCHEMBL13734737

COc1cccc(-c2ccnn2-c2ccc(CN3CCCC3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.48
DRD4 P21917 2/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIGMAR1 Q99720 3/20 0.47
LMNA P02545 4/20 0.46
TMEM97 Q5BJF2 2/20 0.46
WNK1 Q9H4A3 1/20 0.45
GFER P55789 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGIR P43119 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL13734911 0.91 DRD4 (0.49) CD274DRD4DRD2DRD3KDM4E
SCHEMBL13737299 0.79 CYP1A2 (0.51) KDM4EALDH1A1LMNAGAACYP2D6
SCHEMBL13733761 0.78 JAK2 (0.54) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL24495483 0.75 DRD4 (0.68) CD274DRD4DRD2DRD3KDM4E
SCHEMBL28810171 0.75 NPSR1 (0.47) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL15556699 0.73 NR3C2 (0.54) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL26124807 0.73 CD274 (0.58) CD274DRD4DRD2DRD3KDM4E
SCHEMBL13734610 0.73 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL3162705 0.72 SIGMAR1 (0.79) DRD2KDM4EALDH1A1SIGMAR1GAA
SCHEMBL28086177 0.71 SIGMAR1 (0.50) CD274DRD4DRD2DRD3KDM4E

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