SCHEMBL23716649

SCHEMBL23716649

CC1(C)OB(c2cnc3ccn(COCC[Si](C)(C)C)c3c2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.34
GRIN2B Q13224 8/20 0.33
ALPL P05186 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
BRD4 O60885 2/20 0.31
CREBBP Q92793 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
SCHEMBL6473677 0.83 SNCA (0.34) DGAT1IRAK4BRD4CREBBP
SCHEMBL1564459 0.82 DGAT1 (0.37) DGAT1ALPLPDGFRBKDRAAK1
SCHEMBL30531492 0.82 IRAK4 (0.39) DGAT1IRAK4
SCHEMBL8247537 0.82 IRAK4 (0.39) DGAT1IRAK4
SCHEMBL3304410 0.81 GSK3A (0.34) DGAT1IRAK4PDGFRBKDRAAK1
SCHEMBL20604761 0.80 LPL (0.35) DGAT1IRAK4
SCHEMBL29600164 0.79 BRD4 (0.43) DGAT1PDGFRBKDRAAK1BRD4
SCHEMBL15183831 0.79 BRD4 (0.43) DGAT1PDGFRBKDRAAK1BRD4
SCHEMBL797478 0.77 DGAT1 (0.41) DGAT1GRIN2B
SCHEMBL30451160 0.77 DGAT1 (0.41) DGAT1GRIN2B

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
EP-3551610-B1 BICYCLO[1.1.1]PENTANE INHIBITORS OF DUAL LEUCINE ZIPPER (DLK) KINASE FOR THE TREATMENT OF DISEASE UNIV TEXAS (US) 2021-08-11 EP disclosed