SCHEMBL22250366

SCHEMBL22250366

Cc1c(C#N)cccc1-c1nc2[nH]ccc(=O)c2nc1-c1cc(Cl)c2ncsc2c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 13/20 0.53
▸ RIPK1 Q13546 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ TPX2 Q9ULW0 1/20 0.31

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
SCHEMBL22246478 0.89 ADORA2A (0.68) ADORA2ARIPK1AURKATPX2
SCHEMBL22250361 0.86 ADORA2A (0.58) ADORA2A
SCHEMBL22250931 0.85 ADORA2A (0.54) ADORA2AAURKATPX2
SCHEMBL22250278 0.85 ADORA2A (0.61) ADORA2A
SCHEMBL22250681 0.84 ADORA2A (0.63) ADORA2A
SCHEMBL22250952 0.83 ADORA2A (0.51) ADORA2A
SCHEMBL22250949 0.83 ADORA2A (0.43) ADORA2A
SCHEMBL22250929 0.82 ADORA2A (0.52) ADORA2A
SCHEMBL22251261 0.82 ADORA2A (0.75) ADORA2A
SCHEMBL22250376 0.81 ADORA2A (0.52) ADORA2AAURKATPX2

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-2020150675-A1 COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-07-23 — — WO disclosed
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