SCHEMBL13734645

SCHEMBL13734645

CN1CCC(c2ccnn2-c2ccc(N3CCCC3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.39
HRH4 Q9H3N8 2/20 0.38
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ADRA2C P18825 1/20 0.36
GFER P55789 1/20 0.36
PTK2B Q14289 1/20 0.36
ESR2 Q92731 1/20 0.36
NCF1 P14598 1/20 0.35
LMNA P02545 1/20 0.35
MELK Q14680 1/20 0.35
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL13735207 0.93 GAA (0.44) CHKAHRH4GAASMN1; SMN2KMT2A
SCHEMBL13735009 0.90 ALDH1A1 (0.40) GAASMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL13735126 0.84 DRD4 (0.43) GAASMN1; SMN2
SCHEMBL13733633 0.76 QDPR (0.42) LMNA
SCHEMBL17001804 0.73 GAA (0.46) GAASMN1; SMN2KDM4E
SCHEMBL13734830 0.72 NT5E (0.45)
SCHEMBL13734629 0.72 ROCK2 (0.45)
SCHEMBL13735480 0.70 GAA (0.36) GAASMN1; SMN2
SCHEMBL23276373 0.70 KDM4E (0.35) SMN1; SMN2KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL30737534 0.70 MEN1 (0.42) KMT2AKDM4EALDH1A1MEN1

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