SCHEMBL9412467

SCHEMBL9412467

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
POLA1 P09884 2/20 0.43
STAT3 P40763 3/20 0.40
GDA Q9Y2T3 1/20 0.39
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
XDH P47989 1/20 0.37
NEK2 P51955 3/20 0.37
CYP3A4 P08684 2/20 0.36
CYP3A5 P20815 1/20 0.35
SYK P43405 1/20 0.34

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
SCHEMBL4307867 0.87 DPP4 (0.49) DPP4POLA1STAT3GDAKDR
SCHEMBL9412617 0.86 GDA (0.39) DPP4STAT3GDAKDRAURKB
SCHEMBL5197101 0.82 GDA (0.54) DPP4POLA1STAT3GDAXDH
SCHEMBL9412610 0.80 DPP4 (0.50) DPP4POLA1STAT3GDAKDR
SCHEMBL9412465 0.78 JAK3 (0.32)
SCHEMBL15063958 0.76 SYK (0.52) DPP4POLA1STAT3GDAXDH
SCHEMBL27824249 0.73 DPP4 (0.61) DPP4POLA1GDAXDH
SCHEMBL6551675 0.73 DPP4 (0.56) DPP4POLA1GDAXDHNEK2
Acetic Acid SCHEMBL7594624 0.72 DPP4 (0.48) DPP4POLA1STAT3GDAXDH
SCHEMBL4777463 0.71 GDA (0.42) STAT3GDAKDRAURKBNEK2

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