SCHEMBL5840336

SCHEMBL5840336

CCOC(=O)c1cccc(Nc2nc(Cl)nc3[nH]cnc23)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CDC25B P30305 3/20 0.42
CDC25A P30304 1/20 0.42
CDC25C P30307 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 1/20 0.41
METTL3 Q86U44 1/20 0.40
TP53 P04637 3/20 0.39
SLC26A6 Q9BXS9 1/20 0.39
CDKN1A P38936 1/20 0.39
DHODH Q02127 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK10 P53779 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5840339 0.85 BRAF (0.52) MAPTALDH1A1SMN1; SMN2CDC25BCDC25A
SCHEMBL5839549 0.80 YTHDC1 (0.46) CDC25BCDC25ACDC25C
SCHEMBL4898607 0.80 BRAF (0.61) MAPTALDH1A1SMN1; SMN2CDC25BKMT2A
SCHEMBL3007042 0.71 BRAF (0.49) MAPTALDH1A1CDC25BKMT2AMEN1
SCHEMBL1203237 0.70 METTL3 (0.56) MAPTALDH1A1SMN1; SMN2CDC25BCDC25A
SCHEMBL1203877 0.70 METTL3 (0.56) MAPTALDH1A1SMN1; SMN2CDC25BCDC25A
SCHEMBL17916012 0.70 AURKA (0.47) MAPTALDH1A1SMN1; SMN2CDC25BCDC25A
SCHEMBL6578900 0.70 MAPK1 (0.51) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL29217168 0.70 MAPT (0.57) MAPTALDH1A1SMN1; SMN2CDC25BCDC25A
SCHEMBL301182 0.69 NPSR1 (0.47) MAPTALDH1A1SMN1; SMN2CDC25BCDC25A

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
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 US disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP disclosed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP disclosed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 WO disclosed