SCHEMBL7099033

SCHEMBL7099033

CCn1cnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NC5CCC(N)CC5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.70
CCNB2 O95067 2/20 0.50
CCNE2 O96020 2/20 0.50
CDK1 P06493 2/20 0.50
CDK4 P11802 2/20 0.50
CCNB1 P14635 2/20 0.50
CCND1 P24385 2/20 0.50
CCNE1 P24864 2/20 0.50
CDK2 P24941 2/20 0.50
CCNB3 Q8WWL7 2/20 0.50
ADORA3 P0DMS8 4/20 0.49
ADORA2B P29275 4/20 0.49
ADORA1 P30542 4/20 0.49
FLT3 P36888 1/20 0.49

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
SCHEMBL7099038 1.00 ADORA2A (0.70) ADORA2ACCNB2CCNE2CDK1CDK4
SCHEMBL7222050 0.89 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7100369 0.89 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7222053 0.89 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7100365 0.89 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1
Hydrochloric Acid SCHEMBL7224380 0.89 ADORA2A (0.68) ADORA2AADORA3ADORA2BADORA1
Hydrochloric Acid SCHEMBL7224383 0.89 ADORA2A (0.68) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5088983 0.88 ADORA2A (0.68) ADORA2ACCNB2CCNE2CDK1CDK4
SCHEMBL7525816 0.88 ADORA2A (0.68) ADORA2ACCNB2CCNE2CDK1CDK4
SCHEMBL5088994 0.88 ADORA2A (0.68) ADORA2ACCNB2CCNE2CDK1CDK4

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
EP-1090023-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 EP claimed
EP-1090023-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 EP disclosed