SCHEMBL6436864

SCHEMBL6436864

CCn1cc(N(Cc2ccccc2)C2CCSC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.37
TGFBR1 P36897 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
PGR P06401 1/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.32
DRD2 P14416 1/20 0.32
CCR5 P51681 1/20 0.32
PKM P14618 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GRIN2B Q13224 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
SCHEMBL6450611 0.87 SLC6A2 (0.40) TGFBR1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL6453841 0.84 SLC6A2 (0.39) SMN1; SMN2SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL6450409 0.81 MAPK1 (0.40) SMN1; SMN2SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL6451959 0.80 PDE4B (0.36) TGFBR1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL6438072 0.79 HSD17B10 (0.45) SMN1; SMN2KMT2ALMNAMAPTNPC1
SCHEMBL9056947 0.69 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3PGRDRD2
SCHEMBL6456177 0.69 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3PGRDRD2
SCHEMBL6461886 0.68 TGFBR1 (0.41) TGFBR1KMT2AALDH1A1
SCHEMBL6456034 0.68 TGFBR1 (0.41) TGFBR1LMNAMAPT
SCHEMBL6454933 0.67 TP53 (0.37) TGFBR1SMN1; SMN2KMT2ALMNAKDM4E

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