SCHEMBL6270959

SCHEMBL6270959

Cc1nc2nc(NC3CCCC3)[nH]c(=O)c2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.52
ADORA1 P30542 3/20 0.42
PIM1 P11309 3/20 0.41
CDC7 O00311 5/20 0.39
DBF4 Q9UBU7 5/20 0.39
CDK2 P24941 2/20 0.39
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK1 P06493 1/20 0.39
CSF1R P07333 1/20 0.39
PRKACA P17612 1/20 0.39
MARK3 P27448 1/20 0.39
MAPK1 P28482 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK7 P50613 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
SCHEMBL6268514 0.81 ALDH1A1 (0.37) FYN
SCHEMBL15544424 0.78 GDA (0.55) LMNAPKM
SCHEMBL28004496 0.77 GDA (0.53) LMNAPKM
SCHEMBL65614 0.76 GDA (0.40) CSNK2A1
SCHEMBL26155922 0.73 PNP (0.48) ADORA1MAPK1CSNK2A1
SCHEMBL8591402 0.72 FGFR1 (0.51)
SCHEMBL9275474 0.72 XDH (0.38)
SCHEMBL16513137 0.71 GDA (0.64) LMNA
SCHEMBL5133744 0.70 XDH (0.39)
SCHEMBL6271830 0.70 POLA1 (0.38)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017394-B1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER REC TECH LTD (GB) 2005-12-07 EP disclosed
US-6303618-B1 ADMINISTERING PURINE COMPOUND WHICH INHIBITS CYCLIC DEPENDENT KINASE ACTIVITY FOR THERAPY OF TUMOR OR OTHER CELL PROLIFERATION DISORDER CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-10-16 US disclosed
EP-1017394-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-07-12 EP disclosed
WO-1999002162-A9 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RES CAMPAIGN TECH (GB) 1999-07-29 WO disclosed
WO-1999002162-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-01-21 WO disclosed