SCHEMBL9412640

SCHEMBL9412640

O=C(Nc1nc(O)c2[nH]cnc2n1)C(Cl)(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.39
STAT3 P40763 4/20 0.38
DPP4 P27487 1/20 0.36
KDR P35968 1/20 0.35
AURKB Q96GD4 1/20 0.35
NEK2 P51955 2/20 0.34
SYK P43405 2/20 0.34
XDH P47989 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CDK2 P24941 1/20 0.33

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
SCHEMBL9412610 0.86 DPP4 (0.50) GDASTAT3DPP4KDRAURKB
SCHEMBL887125 0.81 GDA (0.55) GDASTAT3KDRAURKBNEK2
SCHEMBL9412617 0.80 GDA (0.39) GDASTAT3DPP4KDRAURKB
SCHEMBL9412633 0.78 ALDH1A1 (0.35) ALDH1A1L3MBTL1
SCHEMBL4777463 0.77 GDA (0.42) GDASTAT3KDRAURKBNEK2
SCHEMBL12841391 0.74 STAT3 (0.47) STAT3NEK2L3MBTL1
SCHEMBL377763 0.73 CDK2 (0.48) GDADPP4NEK2XDHCDK2
SCHEMBL1358803 0.71 SYK (0.46) GDASTAT3KDRAURKBSYK
SCHEMBL8718988 0.70 SYK (0.46) GDASTAT3KDRAURKBSYK
SCHEMBL16147027 0.70 ADORA3 (0.54) NEK2SYKXDHCDK2

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
EP-0590361-A1 Process for the preparation of 2-amino-6-halopurines BASF Aktiengesellschaft (DE) 1994-04-06 EP disclosed