SCHEMBL7103703

SCHEMBL7103703

Cc1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N[C@H]5CC[C@H](N)CC5)nc43)[C@H](O)[C@@H]2O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.68
ADORA3 P0DMS8 3/20 0.49
ADORA2B P29275 3/20 0.49
ADORA1 P30542 3/20 0.49
CCNB2 O95067 2/20 0.48
CCNE2 O96020 2/20 0.48
CDK1 P06493 2/20 0.48
CDK4 P11802 2/20 0.48
CCNB1 P14635 2/20 0.48
CCND1 P24385 2/20 0.48
CCNE1 P24864 2/20 0.48
CDK2 P24941 2/20 0.48
CCNB3 Q8WWL7 2/20 0.48
FLT3 P36888 1/20 0.48

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
SCHEMBL7103705 1.00 ADORA2A (0.68) ADORA2AADORA3ADORA2BADORA1CCNB2
Formic Acid SCHEMBL7105197 0.97 ADORA2A (0.66) ADORA2AADORA3ADORA2BADORA1CCNB2
Formic Acid SCHEMBL7105215 0.97 ADORA2A (0.66) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7099345 0.92 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7099343 0.92 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7102413 0.92 ADORA2A (0.67) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7102410 0.92 ADORA2A (0.67) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7105206 0.90 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7105212 0.90 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1CCNB2
Formic Acid SCHEMBL7103615 0.89 ADORA2A (0.67) ADORA2AADORA3ADORA2BADORA1

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