SCHEMBL8522268

SCHEMBL8522268

Cn1nnc(C2OC(n3cnc4c(NCc5cccc(I)c5)nc(NC5CCC(N)CC5)nc43)C(O)C2O)n1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.65
CCNE1 P24864 3/20 0.65
CDK2 P24941 3/20 0.65
CCNB2 O95067 2/20 0.65
CCNE2 O96020 2/20 0.65
CDK4 P11802 2/20 0.65
CCNB1 P14635 2/20 0.65
CCND1 P24385 2/20 0.65
CCNB3 Q8WWL7 2/20 0.65
ADORA3 P0DMS8 14/20 0.58
ADORA2A P29274 8/20 0.58
ADORA1 P30542 8/20 0.58
ADORA2B P29275 6/20 0.58
FLT3 P36888 1/20 0.52
HTR2C P28335 1/20 0.49
PPARG P37231 1/20 0.49
HTR2B P41595 1/20 0.49
PPARD Q03181 1/20 0.49
ABCG2 Q9UNQ0 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
SCHEMBL7232107 1.00 CDK1 (0.65) CDK1CCNE1CDK2CCNB2CCNE2
SCHEMBL7232100 1.00 CDK1 (0.65) CDK1CCNE1CDK2CCNB2CCNE2
SCHEMBL7229755 0.92 ADORA3 (0.70) CDK1CCNE1CDK2CCNB2CCNE2
SCHEMBL7229760 0.92 ADORA3 (0.70) CDK1CCNE1CDK2CCNB2CCNE2
SCHEMBL5138486 0.85 ADORA3 (0.59) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL5138159 0.84 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL5088082 0.84 ADORA2A (0.58) CDK1CCNE1CDK2CCNB2CCNE2
SCHEMBL5088084 0.84 ADORA2A (0.58) CDK1CCNE1CDK2CCNB2CCNE2
SCHEMBL5088983 0.84 ADORA2A (0.68) CDK1CCNE1CDK2CCNB2CCNE2
SCHEMBL7525816 0.84 ADORA2A (0.68) CDK1CCNE1CDK2CCNB2CCNE2

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-0948509-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-10-13 EP disclosed
WO-1998028319-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-07-02 WO disclosed