SCHEMBL31340957

SCHEMBL31340957

COc1ccc(COc2cnc(Cl)nc2NC2CC[Si](C)(C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ APP P05067 2/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ TRPM8 Q7Z2W7 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35

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
SCHEMBL16685622 0.73 NPC1 (0.48) KMT2ALMNAPOLBCYP1A2CYP2C9
SCHEMBL3145566 0.73 KMT2A (0.51) KMT2AKDM4ELMNACYP1A2CYP3A4
SCHEMBL16914145 0.72 NPC1 (0.37) KMT2AKDM4ELMNAPOLBCYP1A2
SCHEMBL16914247 0.72 ALDH1A1 (0.36) KMT2AKDM4ELMNAPOLBCYP1A2
SCHEMBL16685593 0.71 ABCB1 (0.42) KMT2AKDM4ELMNACYP1A2CYP2C9
SCHEMBL16913997 0.71 NPC1 (0.36) KMT2AKDM4ELMNAPOLBCYP1A2
SCHEMBL31340962 0.71 KMT2A (0.47) KMT2AJAK2JAK3
SCHEMBL16685800 0.71 SLC6A2 (0.41) NPC1RAB9AGAACSF1RNTRK1
SCHEMBL27196854 0.70 KMT2A (0.60) KMT2AKDM4ELMNAPOLBGAA
SCHEMBL16914178 0.69 KDM4E (0.35) KMT2AKDM4ELMNAPOLBCYP1A2

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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