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SCHEMBL21343071

SCHEMBL21343071

CCCn1c(=O)c2c(nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)n2COS)n(CC)c1=O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 20/20 0.65
▸ ADORA2A P29274 17/20 0.65
▸ ADORA1 P30542 16/20 0.65
▸ ADORA3 P0DMS8 11/20 0.65
▸ PLK4 O00444 1/20 0.65
▸ CDK2 P24941 1/20 0.65
▸ IRAK1 P51617 1/20 0.65
▸ RPS6KA3 P51812 1/20 0.65
▸ PLK3 Q9H4B4 1/20 0.65
▸ CSNK1G3 Q9Y6M4 1/20 0.65

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
SCHEMBL21343076 0.93 ADORA2B (0.66) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL242945 0.90 ADORA2B (0.62) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL21343680 0.90 ADORA2B (0.68) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL4375484 0.90 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL21343078 0.90 ADORA2B (0.62) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL243306 0.90 ADORA2B (0.62) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL21343082 0.90 ADORA2B (0.62) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL838239 0.90 ADORA2B (0.62) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL241951 0.89 ADORA2B (0.61) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL29403125 0.89 ADORA2B (0.61) ADORA2BADORA2AADORA1ADORA3PLK4

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-2019173380-A1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2019-09-12 — — WO disclosed