SCHEMBL6691889

SCHEMBL6691889

C[Si](C)(C)c1cnc(CSc2cnc(C(N)=O)s2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.47
CCNE2 O96020 15/20 0.47
CCNE1 P24864 15/20 0.47
CDK4 P11802 10/20 0.47
CCND1 P24385 10/20 0.47
CCNB2 O95067 7/20 0.46
CDK1 P06493 7/20 0.46
CCNB1 P14635 7/20 0.46
CCNB3 Q8WWL7 7/20 0.46
CCND3 P30281 4/20 0.46
CCND2 P30279 1/20 0.46
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
CDK6 Q00534 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41

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
SCHEMBL14714709 0.83 CDK2 (0.68) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL6691895 0.81 CDK2 (0.68) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL6695938 0.79 CCNE2 (0.76) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL6249266 0.77 AOC3 (0.33)
SCHEMBL6690193 0.77 CDK2 (0.43) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL5875892 0.74 HSD17B10 (0.39) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL6693212 0.72 CDK2 (0.74) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL6695162 0.71 CDK2 (0.77) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL6694359 0.70 CDK2 (0.78) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL6691176 0.70 CDK2 (0.78) 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