SCHEMBL6690198

SCHEMBL6690198

C[Si]1(c2cnc(CSc3cnc(N)s3)o2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.57
CCNE2 O96020 12/20 0.41
CCNE1 P24864 12/20 0.41
CDK4 P11802 8/20 0.41
CCND1 P24385 8/20 0.41
CDK1 P06493 8/20 0.38
CCNB1 P14635 8/20 0.38
CCNB2 O95067 7/20 0.38
CCNB3 Q8WWL7 7/20 0.38
CDK9 P50750 2/20 0.37
CCNT1 O60563 1/20 0.37
CDK7 P50613 1/20 0.37
CCNH P51946 1/20 0.37
CCND2 P30279 3/20 0.35
CCND3 P30281 3/20 0.35

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
SCHEMBL6693006 0.99 CDK2 (0.58) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL6693000 0.83 CDK2 (0.44) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL14394720 0.76 CDK2 (0.67) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL6691895 0.74 CDK2 (0.68) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL5213810 0.73 CDK2 (0.67) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL960172 0.73 CDK2 (1.00) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL6692083 0.72 CDK2 (0.70) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL6689476 0.70 CDK2 (0.74) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL14076535 0.70 CDK2 (0.62) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL5753532 0.66 CDK2 (0.59) CDK2CCNE2CCNE1CDK4CCND1

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
WO-2004113353-A1 SILICON-COMPRISING AMINOTHIAZOLE DERIVATIVES AS CDK INHIBITORS AMEDIS PHARMACEUTICALS LTD. (GB) 2004-12-29 WO claimed
WO-2004113353-A1 SILICON-COMPRISING AMINOTHIAZOLE DERIVATIVES AS CDK INHIBITORS AMEDIS PHARMACEUTICALS LTD. (GB) 2004-12-29 WO disclosed