SCHEMBL31340993

SCHEMBL31340993

CCOC(=O)C1(c2cnc(SC)nc2NC2CC[Si](C)(C)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ FOS P01100 1/20 0.35
▸ JUN P05412 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MERTK Q12866 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ JAK3 P52333 3/20 0.32
▸ JAK2 O60674 1/20 0.32

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
SCHEMBL31340873 0.94 SYK (0.40) SYKALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL25122796 0.86 ALDH1A1 (0.41) SYKALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL27224889 0.81 JAK1 (0.44) SYKALDH1A1MEN1KMT2AMERTK
SCHEMBL30990814 0.79 MEN1 (0.42) SYKALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL31465490 0.73 ALDH1A1 (0.40) SYKALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL22348019 0.73 MEN1 (0.44) SYKALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL29391314 0.73 MEN1 (0.44) SYKALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL27166380 0.71 MEN1 (0.45) SYKMEN1KMT2AMERTKTDP1
SCHEMBL4405587 0.69 ALDH1A1 (0.63) SYKALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL574167 0.67 ALDH1A1 (0.60) SYKALDH1A1MAPTSMN1; SMN2LMNA

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-2025049247-A1 5,6-CORE SILACYCLE BASED INHIBITORS OF DNA-DEPENDENT PROTEIN KINASE AND COMPOSITIONS AND APPLICATION IN GENE EDITING JUNO THERAPEUTICS, INC. (US) 2025-03-06 — — WO disclosed
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