SCHEMBL7103600

SCHEMBL7103600

CCc1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N[C@H]5CC[C@H](N)CC5)nc43)[C@H](OC=O)[C@@H]2O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.61
ADORA3 P0DMS8 5/20 0.43
ADORA2B P29275 5/20 0.43
ADORA1 P30542 5/20 0.43
CCNB2 O95067 2/20 0.43
CCNE2 O96020 2/20 0.43
CDK1 P06493 2/20 0.43
CDK4 P11802 2/20 0.43
CCNB1 P14635 2/20 0.43
CCND1 P24385 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
CCNB3 Q8WWL7 2/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL7103604 0.95 ADORA2A (0.63) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7105206 0.93 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7099694 0.92 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1CCNB2
Formic Acid SCHEMBL7103599 0.91 ADORA2A (0.67) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7103615 0.91 ADORA2A (0.67) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7098477 0.91 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7099345 0.91 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7099343 0.91 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7114065 0.89 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7105212 0.88 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1CCNB2

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 3 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 disclosed
EP-1090023-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP disclosed
WO-1999067264-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO disclosed