SCHEMBL6869236

SCHEMBL6869236

CCN(Cc1ccncc1)C(=O)Oc1cc(N)n2nc(-c3nccs3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
ADORA2A P29274 3/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.35
SLC2A1 P11166 6/20 0.35
SLC2A4 P14672 1/20 0.35
POLB P06746 1/20 0.35
F2 P00734 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 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
SCHEMBL6869933 0.90 ADORA2A (0.41) ADORA2ALMNAPDE11AMEN1KMT2A
SCHEMBL6870549 0.88 ADORA2A (0.36) ADORA2AALDH1A1LMNASLC2A1PDE11A
SCHEMBL6867506 0.86 ADORA2A (0.50) USP2ADORA2AALDH1A1LMNAPOLB
SCHEMBL6873153 0.85 ADORA2A (0.38) ADORA2AF2PDE11A
SCHEMBL6869532 0.84 ADORA2A (0.36) ADORA2APDE11A
SCHEMBL6871499 0.84 ADORA2A (0.47) ADORA2AALDH1A1LMNASLC2A1F2
SCHEMBL6871963 0.82 ADORA2A (0.35) ADORA2APOLBPDE11A
SCHEMBL6874251 0.81 ADORA2A (0.43) ADORA2APDE11A
SCHEMBL6863200 0.79 ADORA2A (0.38) ADORA2A
SCHEMBL6870657 0.79 ADORA2A (0.50) USP2ADORA2AALDH1A1LMNAF2

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-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 EP claimed