SCHEMBL8908017

SCHEMBL8908017

Nc1ncnc2c1ncn2CCN1C(=O)CSC1CO

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.54
ADORA1 P30542 2/20 0.54
ADORA2B P29275 1/20 0.48
ADCY5 O95622 4/20 0.46
FGFR1 P11362 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
ADCY1 Q08828 1/20 0.45
AHCY P23526 4/20 0.44

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
SCHEMBL8907404 0.83 EGFR (0.49) ADORA2AADORA1ADCY5FGFR1SLC22A6
SCHEMBL11222112 0.74 ADORA2A (0.80) ADORA2AADORA1ADORA2BADCY5
SCHEMBL29459142 0.72 ADORA2A (1.00) ADORA2AADORA1ADORA2BADCY5ADCY1
SCHEMBL984944 0.72 ADORA2A (1.00) ADORA2AADORA1ADORA2BADCY5ADCY1
Hydrochloric Acid SCHEMBL9193028 0.71 ADORA2A (0.97) ADORA2AADORA1ADORA2BADCY5ADCY1
SCHEMBL1635576 0.70 ADORA2A (1.00) ADORA2AADORA1ADORA2BADCY5ADCY1
SCHEMBL16762626 0.69 ADORA2A (0.71) ADORA2AADORA1ADORA2BADCY5FGFR1
SCHEMBL1871838 0.69 ADORA2A (0.75) ADORA2AADORA1ADORA2BAHCY
SCHEMBL19553487 0.69 ADORA2A (0.91) ADORA2AADORA1ADORA2BADCY5ADCY1
SCHEMBL67131 0.68 ADORA2A (0.74) ADORA2AADORA1ADORA2BADCY5ADCY1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997034891-A1 SUBSTITUTED 1,3-THIAZOLIDINES AND 1,3-THIAZOLIDIN-4-ONES, METHOD FOR PREPARING SAME, AND USE THEREOF AS DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-09-25 WO claimed
WO-1997034891-A1 SUBSTITUTED 1,3-THIAZOLIDINES AND 1,3-THIAZOLIDIN-4-ONES, METHOD FOR PREPARING SAME, AND USE THEREOF AS DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-09-25 WO disclosed