SCHEMBL28569870

SCHEMBL28569870

COC(=O)c1c(/N=C(\C)N2CCOCC2C)cnn1COCC[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.34
ATRIP Q8WXE1 1/20 0.34
VNN1 O95497 2/20 0.31
PRMT5 O14744 2/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL23629194 1.00 ATR (0.34) ATRATRIPVNN1PRMT5ALOX5AP
SCHEMBL24024047 0.90 VNN1 (0.30) VNN1
SCHEMBL23408450 0.86 PIK3CD (0.35) VNN1PRMT5ALOX5APFEN1
SCHEMBL23408498 0.81 CNR2 (0.38) VNN1PRMT5ALOX5APFEN1
SCHEMBL28589312 0.80 UCHL1 (0.40)
SCHEMBL22792091 0.75 F2RL1 (0.32)
SCHEMBL29968500 0.75 CA12 (0.35) VNN1PRMT5ALOX5APFEN1
SCHEMBL28582530 0.72 VNN1 (0.35) VNN1PRMT5ALOX5APFEN1
SCHEMBL28582531 0.72 VNN1 (0.35) VNN1PRMT5ALOX5APFEN1
SCHEMBL29967694 0.72 VNN1 (0.35) VNN1PRMT5ALOX5APFEN1

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
CN-112654396-A 5-morpholin-4-yl-pyrazolo [4,3-b ] pyridine derivatives 默克专利股份公司 2021-04-13 CN disclosed