SCHEMBL12817782

SCHEMBL12817782

Cc1cc(N2CCOCC2)nc2sc3c(N)ncnc3c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.64
▸ EEF2K O00418 1/20 0.62
▸ CDC7 O00311 6/20 0.60
▸ DBF4 Q9UBU7 6/20 0.60
▸ IKBKB O14920 2/20 0.60
▸ PLK4 O00444 1/20 0.60
▸ AURKA O14965 1/20 0.60
▸ CHUK O15111 1/20 0.60
▸ ROCK2 O75116 1/20 0.60
▸ FYN P06241 1/20 0.60
▸ PIM1 P11309 1/20 0.60
▸ PRKACA P17612 1/20 0.60
▸ RPS6KB1 P23443 1/20 0.60
▸ CDK2 P24941 1/20 0.60
▸ MARK3 P27448 1/20 0.60
▸ AKT1 P31749 1/20 0.60
▸ FLT4 P35916 1/20 0.60
▸ KDR P35968 1/20 0.60
▸ CSNK1D P48730 1/20 0.60
▸ GSK3A P49840 1/20 0.60

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
SCHEMBL12969908 0.87 KDM4E (0.63) MAPK1EEF2KCDC7DBF4IKBKB
SCHEMBL12969830 0.84 CDC7 (0.58) MAPK1EEF2KCDC7DBF4IKBKB
SCHEMBL12969835 0.82 SMN1; SMN2 (0.67) MAPK1EEF2KCDC7DBF4IKBKB
SCHEMBL12969907 0.80 CDC7 (0.53) MAPK1EEF2KCDC7DBF4IKBKB
SCHEMBL12969827 0.79 CDC7 (0.52) MAPK1EEF2KCDC7DBF4IKBKB
SCHEMBL12969822 0.79 IKBKB (0.61) MAPK1EEF2KCDC7DBF4IKBKB
SCHEMBL20841615 0.78 MAPK1 (1.00) MAPK1CDC7DBF4IKBKBPLK4
SCHEMBL4903009 0.76 CDC7 (1.00) MAPK1CDC7DBF4IKBKBPLK4
SCHEMBL12969828 0.74 CDC7 (0.48) MAPK1EEF2KCDC7DBF4IKBKB
SCHEMBL12818768 0.72 IKBKB (0.64) MAPK1IKBKBHPGDKDM4EMAPT

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
WO-2012131297-A1 PYRIDO [3',2' :4,5] THIENO [3, 2-D] PYRIMIDIN- 4 - YLAMINE DERIVATIVES AND THEIR THERAPEUTICAL USE BAELL JONATHAN BAYLDON (AU) 2012-10-04 — — WO disclosed
WO-2012131297-A1 PYRIDO [3',2' :4,5] THIENO [3, 2-D] PYRIMIDIN- 4 - YLAMINE DERIVATIVES AND THEIR THERAPEUTICAL USE BAELL JONATHAN BAYLDON (AU) 2012-10-04 — — WO disclosed
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