SCHEMBL6454933

SCHEMBL6454933

CCn1cc(N(Cc2cccc(Cl)n2)C2CCCCC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.37
LMNA P02545 1/20 0.37
TGFBR1 P36897 1/20 0.34
S1PR1 P21453 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PROKR1 Q8TCW9 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6453841 0.80 SLC6A2 (0.39) LMNAS1PR1SMN1; SMN2KMT2A
SCHEMBL6450611 0.75 SLC6A2 (0.40) LMNATGFBR1SMN1; SMN2MEN1KMT2A
SCHEMBL6456034 0.73 TGFBR1 (0.41) LMNATGFBR1S1PR1PROKR1
SCHEMBL6461886 0.73 TGFBR1 (0.41) TGFBR1S1PR1ALDH1A1MEN1KMT2A
SCHEMBL5042156 0.72 HRH3 (0.47) LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL6464368 0.72 TGFBR1 (0.41) TGFBR1
SCHEMBL6456250 0.70 KMT2A (0.39) LMNATGFBR1ALDH1A1PROKR1MEN1
SCHEMBL6458237 0.70 TGFBR1 (0.41) LMNATGFBR1S1PR1ALDH1A1SMN1; SMN2
SCHEMBL6450409 0.70 MAPK1 (0.40) TP53LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL6451777 0.68 KMT2A (0.38) TP53LMNATGFBR1KMT2A

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-1539753-A2 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-15 EP disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed