SCHEMBL3348239

SCHEMBL3348239

Cc1csc(-c2nc(N)c3cc(C(=O)O)sc3n2)n1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.70
ADORA1 P30542 10/20 0.58
HSP90AB1 P08238 1/20 0.44
S100A4 P26447 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLAU P00749 1/20 0.36
NTRK1 P04629 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL3303145 0.82 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL3296743 0.81 ADORA2A (0.64) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL2306306 0.79 ADORA2A (0.60) ADORA2AADORA1PLAU
SCHEMBL13389229 0.79 ADORA2A (0.55) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL3296688 0.79 ADORA2A (0.54) ADORA2AADORA1HSP90AB1MEN1KMT2A
SCHEMBL2303619 0.79 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL3300662 0.78 ADORA2A (0.54) ADORA2AADORA1KMT2A
Hydrochloric Acid SCHEMBL3302026 0.78 ADORA2A (0.54) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL27856975 0.77 ADORA2A (0.71) ADORA2AADORA1
SCHEMBL13389260 0.77 ADORA2A (0.59) ADORA2AADORA1KDM4ENPC1RAB9A

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-2010045008-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed