SCHEMBL13737313

SCHEMBL13737313

FC(F)(F)Oc1cccc(-n2cccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.50
RXRA P19793 8/20 0.49
GRIN1 Q05586 8/20 0.49
GRIN2B Q13224 8/20 0.49
KCNH2 Q12809 4/20 0.48
DYRK1A Q13627 1/20 0.46
PDK2 Q15119 1/20 0.44
NOTUM Q6P988 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL16556797 0.83 NOTUM (0.53) RXRAGRIN1GRIN2BPDK2NOTUM
SCHEMBL28071287 0.81 RXRA (0.49) RXRAGRIN1GRIN2BNOTUMLMNA
SCHEMBL29471936 0.79 NOTUM (0.65) PDE10ARXRAGRIN1GRIN2BKCNH2
SCHEMBL28266369 0.79 NOTUM (0.65) PDE10ARXRAGRIN1GRIN2BKCNH2
SCHEMBL5934873 0.78 NOTUM (0.57) PDK2NOTUMLMNAKDM4EALDH1A1
SCHEMBL254803 0.78 NOTUM (0.63) DYRK1ANOTUMLMNAKDM4EALDH1A1
SCHEMBL29635591 0.78 NOTUM (0.63) DYRK1ANOTUMLMNAKDM4EALDH1A1
SCHEMBL27785304 0.77 LMNA (0.45) PDK2NOTUMLMNAKDM4EALDH1A1
SCHEMBL837064 0.77 NOTUM (0.44) PDK2NOTUMLMNAKDM4EALDH1A1
SCHEMBL30402678 0.77 NOTUM (0.64) KCNH2PDK2NOTUMLMNAALDH1A1

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-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