SCHEMBL12969722

SCHEMBL12969722

Nc1ncnc2c1sc1nc(C3CC3)cc(C(F)(F)F)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 11/20 1.00
DBF4 Q9UBU7 10/20 1.00
MAPT P10636 3/20 0.50
LIMK1 P53667 3/20 0.47
PLK4 O00444 2/20 0.47
AURKA O14965 2/20 0.47
ROCK2 O75116 2/20 0.47
PIM1 P11309 2/20 0.47
PRKACA P17612 2/20 0.47
RPS6KB1 P23443 2/20 0.47
CDK2 P24941 2/20 0.47
MARK3 P27448 2/20 0.47
FLT4 P35916 2/20 0.47
KDR P35968 2/20 0.47
CSNK1D P48730 2/20 0.47
GSK3A P49840 2/20 0.47
STK3 Q13188 2/20 0.47
ROCK1 Q13464 2/20 0.47
DYRK1A Q13627 2/20 0.47
MARK2 Q7KZI7 2/20 0.47

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
SCHEMBL4893099 0.80 CDC7 (0.69) CDC7DBF4MAPTLIMK1PLK4
SCHEMBL4901082 0.78 CDC7 (0.64) CDC7DBF4MAPTLIMK1PLK4
SCHEMBL4903351 0.78 CDC7 (0.64) CDC7DBF4MAPTLIMK1PLK4
SCHEMBL4899965 0.73 CDC7 (0.58) CDC7DBF4MAPTLIMK1PLK4
SCHEMBL4901296 0.73 CDC7 (0.56) CDC7DBF4MAPTLIMK1PLK4
SCHEMBL4900523 0.73 MAPT (0.60) CDC7DBF4MAPTLIMK1PLK4
SCHEMBL4903159 0.67 MAPT (1.00) CDC7DBF4MAPTLIMK1PLK4
SCHEMBL4903289 0.66 MAPT (0.74) CDC7DBF4MAPTLIMK1PLK4
SCHEMBL4903009 0.65 CDC7 (1.00) CDC7DBF4MAPTLIMK1PLK4
SCHEMBL4893147 0.64 MAPT (0.66) CDC7DBF4MAPTLIMK1KDM4E

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 1 patent. 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