SCHEMBL30569166

SCHEMBL30569166

Cc1c(CN2CCc3nc(Nc4ccc5oc(=O)n(C)c5c4)ncc3C2)ccc2c1COC2=O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.51
▸ LMNA P02545 1/20 0.51
▸ KCNJ1 P48048 6/20 0.48
▸ TP53 P04637 2/20 0.45
▸ JAK1 P23458 1/20 0.42
▸ JAK3 P52333 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
SCHEMBL19475649 1.00 MAPT (0.51) MAPTLMNAKCNJ1TP53JAK1
SCHEMBL20945406 0.87 KCNJ1 (0.58) KCNJ1
SCHEMBL30569154 0.87 KCNJ1 (0.58) KCNJ1
SCHEMBL30569204 0.85 KCNJ1 (0.46) KCNJ1
SCHEMBL19475689 0.85 KCNJ1 (0.46) KCNJ1
SCHEMBL19475834 0.83 KCNJ1 (0.53) MAPTLMNAKCNJ1TP53
SCHEMBL30569153 0.82 KCNJ1 (0.57) MAPTLMNAKCNJ1TP53
SCHEMBL20945399 0.82 KCNJ1 (0.57) MAPTLMNAKCNJ1TP53
SCHEMBL19512957 0.77 KCNJ1 (0.57) MAPTLMNAKCNJ1
SCHEMBL30569189 0.77 KCNJ1 (0.57) MAPTLMNAKCNJ1

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