SCHEMBL6450409

SCHEMBL6450409

CCn1cc(N(Cc2ccccc2)C2CCS(=O)(=O)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.38
KMT2A Q03164 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
DRD2 P14416 1/20 0.36
GAA P10253 2/20 0.36
GFER P55789 2/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6438072 0.93 HSD17B10 (0.45) MAPK1USP2HSD17B10TP53KMT2A
SCHEMBL6450611 0.90 SLC6A2 (0.40) KMT2ALMNASMN1; SMN2SLC6A2SLC6A4
SCHEMBL6453841 0.88 SLC6A2 (0.39) KMT2ALMNASMN1; SMN2SLC6A2SLC6A4
SCHEMBL6436864 0.81 DRD4 (0.37) KMT2AALDH1A1NPC1LMNASMN1; SMN2
SCHEMBL6451959 0.81 PDE4B (0.36) KMT2ANPC1LMNASMN1; SMN2SLC6A2
SCHEMBL6456034 0.73 TGFBR1 (0.41) LMNAGFERMAPT
SCHEMBL6461886 0.73 TGFBR1 (0.41) KMT2AALDH1A1MEN1
SCHEMBL9056947 0.73 SLC6A2 (0.42) MAPK1USP2HSD17B10SLC6A2SLC6A4
SCHEMBL6456177 0.73 SLC6A2 (0.42) MAPK1USP2HSD17B10SLC6A2SLC6A4
SCHEMBL6454933 0.70 TP53 (0.37) TP53KMT2AALDH1A1LMNASMN1; SMN2

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