SCHEMBL30747798

SCHEMBL30747798

COc1ccc(CNc2nc(Cl)nc3c2ncn3Cc2ccc(OC)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 4/20 0.77
CCNE1 P24864 4/20 0.77
CDK2 P24941 4/20 0.77
CTSL P07711 3/20 0.68
YTHDC1 Q96MU7 6/20 0.62
CDK1 P06493 3/20 0.58
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL27249486 1.00 CCNE2 (0.77) CCNE2CCNE1CDK2CTSLYTHDC1
SCHEMBL17802614 0.96 CTSL (0.75) CCNE2CCNE1CDK2CTSLYTHDC1
SCHEMBL17815602 0.90 CCNE2 (0.64) CCNE2CCNE1CDK2CTSLYTHDC1
SCHEMBL6944109 0.90 CCNE2 (0.76) CCNE2CCNE1CDK2CTSLYTHDC1
SCHEMBL27249493 0.85 CTSL (0.64) CCNE2CCNE1CDK2CTSLCDK1
SCHEMBL1443236 0.84 TDP1 (0.80) CCNE2CCNE1CDK2CDK1TDP1
SCHEMBL30747819 0.84 CTSL (0.62) CCNE2CCNE1CDK2CTSLCDK1
SCHEMBL27249494 0.84 CTSL (0.62) CCNE2CCNE1CDK2CTSLCDK1
SCHEMBL5462682 0.83 CTSL (0.59) CCNE2CCNE1CDK2CTSLCDK1
SCHEMBL30747744 0.83 CTSL (0.61) CCNE2CCNE1CDK2CTSLCDK1

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-4554678-A1 PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-05-21 EP disclosed
WO-2024013205-A9 PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2025-04-10 WO disclosed
WO-2024013205-A1 PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-01-18 WO disclosed