SCHEMBL13734680

SCHEMBL13734680

CCN1CCN(c2ccc(-n3nccc3-c3ccccc3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.58
KHK P50053 2/20 0.48
KDM4E B2RXH2 2/20 0.48
RAD52 P43351 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.48
KDM1A O60341 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ACHE P22303 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
SMO Q99835 1/20 0.44

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
SCHEMBL13734733 0.85 NPC1 (0.56) KHKKDM4ESMN1; SMN2GAAMAPT
SCHEMBL13735876 0.83 PTGS2 (0.56) SMN1; SMN2MAPTNPC1ALDH1A1PTGS2
SCHEMBL28809680 0.81 PTGS2 (0.58) SMN1; SMN2MAPTNPC1ALDH1A1PTGS2
SCHEMBL13736967 0.81 PTGS2 (0.60) KDM4ESMN1; SMN2GAAMAPTNPC1
SCHEMBL12319455 0.79 CHRNA7 (0.79) CHRNA7KDM4ERAD52SMN1; SMN2GAA
SCHEMBL5907310 0.76 MAPK9 (0.56) NPC1ALDH1A1PTGS2MEN1KMT2A
SCHEMBL1155787 0.75 MDM2 (0.55) NPC1ALDH1A1PTGS2RAB9A
SCHEMBL1101883 0.75 CHRNA7 (1.00) CHRNA7KDM4ERAD52SMN1; SMN2GAA
SCHEMBL12759885 0.75 MDM2 (0.52) MAPTNPC1ALDH1A1RAB9A
SCHEMBL28903831 0.74 MAP4K1 (0.48) CHRNA7KDM4ESMN1; SMN2SMOMEN1

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