SCHEMBL30569174

SCHEMBL30569174

Cc1c(CN2CCc3nc(-n4cc(C#N)c5ccccc54)ncc3C2)ccc2c1COC2=O

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 17/20 0.77
▸ KCNH2 Q12809 1/20 0.47
▸ TP53 P04637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL19475704 1.00 KCNJ1 (0.77) KCNJ1KCNH2TP53LMNAMAPT
SCHEMBL30569197 0.90 KCNJ1 (0.66) KCNJ1KCNH2TP53LMNAMAPT
SCHEMBL19513183 0.90 KCNJ1 (0.66) KCNJ1KCNH2TP53LMNAMAPT
SCHEMBL19475687 0.87 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL30569180 0.87 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL19475688 0.86 KCNJ1 (0.62) KCNJ1KCNH2TP53LMNAMAPT
SCHEMBL30569205 0.86 KCNJ1 (0.62) KCNJ1KCNH2TP53LMNAMAPT
SCHEMBL30569203 0.84 KCNJ1 (0.78) KCNJ1KCNH2
SCHEMBL19475753 0.84 KCNJ1 (0.78) KCNJ1KCNH2
SCHEMBL19475747 0.82 KCNJ1 (0.64) KCNJ1KCNH2

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-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 — — EP disclosed
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