SCHEMBL6246901

SCHEMBL6246901

C[Si](C)(C)c1cnc(C=Cc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.47
CCNE1 P24864 4/20 0.47
CCNB2 O95067 3/20 0.47
CCNE2 O96020 3/20 0.47
CDK1 P06493 3/20 0.47
CCNB1 P14635 3/20 0.47
CCNB3 Q8WWL7 3/20 0.47
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL6246897 1.00 CDK2 (0.47) CDK2CCNE1CCNB2CCNE2CDK1
SCHEMBL5726837 0.88 CDK2 (0.59) CDK2CCNE1CCNB2CCNE2CDK1
SCHEMBL5725418 0.88 CDK2 (0.59) CDK2CCNE1CCNB2CCNE2CDK1
SCHEMBL5725410 0.88 CDK2 (0.59) CDK2CCNE1CCNB2CCNE2CDK1
SCHEMBL6250145 0.88 CCNB2 (0.47) CDK2CCNE1CCNB2CCNE2CDK1
SCHEMBL6250143 0.88 CCNB2 (0.47) CDK2CCNE1CCNB2CCNE2CDK1
SCHEMBL5725537 0.84 CDK2 (0.45) CDK2CCNE1CCNB2CCNE2CDK1
SCHEMBL5725546 0.84 CDK2 (0.45) CDK2CCNE1CCNB2CCNE2CDK1
SCHEMBL7501865 0.84 CCNE1 (0.45) CDK2CCNE1CCNB2CCNE2CDK1
SCHEMBL6249487 0.81 OGA (0.43) KMT2AKDM4EMAPTRAB9AMEN1

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-2005035541-A1 SILICON COMPOUNDS AND THEIR USE AMEDIS PHARMACEUTICALS LTD. (GB) 2005-04-21 WO claimed
WO-2005035541-A1 SILICON COMPOUNDS AND THEIR USE AMEDIS PHARMACEUTICALS LTD. (GB) 2005-04-21 WO disclosed