SCHEMBL31533705

SCHEMBL31533705

C[Si](C)(C)CCOCn1nc(OC[C@H]2COCCO2)c2cc(Br)cnc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 14/20 0.37
▸ ATR Q13535 2/20 0.33
▸ ATRIP Q8WXE1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL27193526 1.00 GRM4 (0.37) GRM4ATRATRIPKDM4EALDH1A1
SCHEMBL27193702 1.00 GRM4 (0.37) GRM4ATRATRIPKDM4EALDH1A1
SCHEMBL27193600 0.81 GRM4 (0.34) GRM4ATRATRIPDGAT1
SCHEMBL27193380 0.80 DGAT1 (0.36) DGAT1
SCHEMBL27193468 0.79 DGAT1 (0.37) DGAT1
SCHEMBL31533714 0.78 PDE1B (0.45) GRM4GPR84
SCHEMBL27193665 0.78 PDE1B (0.45) GRM4GPR84
SCHEMBL27193403 0.78 PDE1B (0.45) GRM4GPR84
SCHEMBL24566902 0.75 DGAT1 (0.36) DGAT1
SCHEMBL29705582 0.75 DGAT1 (0.36) 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
CN-119654314-A Heterocyclic amide and urea compounds as JAK2 inhibitors 艾捷斯治疗公司 2025-03-18 — — CN disclosed
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