SCHEMBL20157339

SCHEMBL20157339

C[C@@H](CNc1nccc2ccn(COCC[Si](C)(C)C)c12)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.40
CCNA2 P20248 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
PCSK9 Q8NBP7 1/20 0.37
DGAT1 O75907 2/20 0.34
SYK P43405 4/20 0.33
STK17B O94768 1/20 0.31
STK17A Q9UEE5 1/20 0.31
BRD4 O60885 3/20 0.31
BRAF P15056 2/20 0.30
AAK1 Q2M2I8 1/20 0.30
FPR2 P25090 1/20 0.30
ABCB1 P08183 1/20 0.30

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
SCHEMBL20767621 0.72 AAK1 (0.33) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL17282958 0.71 KDM4E (0.35) PCSK9DGAT1FPR2
SCHEMBL88124 0.71 CCNE2 (0.38) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL20157340 0.70 CCNE2 (0.42) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL18681721 0.70 FPR2 (0.37) PCSK9DGAT1AAK1FPR2
SCHEMBL24509637 0.69 CYP17A1 (0.39) PCSK9DGAT1BRD4FPR2
SCHEMBL6749699 0.69 KDM4E (0.44) PCSK9DGAT1BRD4FPR2
SCHEMBL6521889 0.69 BRAF (0.38) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL6521886 0.69 BRAF (0.38) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL14738392 0.68 DGAT1 (0.42) DGAT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed