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SCHEMBL29670369

SCHEMBL29670369

COc1ccc(Cn2nnc(C)c2-c2ccc(-n3c(=O)c4c(n5ncc(Cc6ccccc6)c35)CN(C(=O)OC(C)(C)C)CC4)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 6/20 0.38
▸ KDM1A O60341 2/20 0.37
▸ TP53 P04637 6/20 0.36
▸ KCNK3 O14649 1/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL29670243 0.85 KCNK3 (0.39) TP53KCNK3LMNAMAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL29670442 0.83 CDC7 (0.34) TP53KCNK3
SCHEMBL22845402 0.82 P2RX3 (0.43) P2RX3KDM1ATP53MAPT
SCHEMBL24470065 0.81 P2RX3 (0.41) P2RX3TP53MAPT
SCHEMBL24484016 0.81 P2RX3 (0.36) P2RX3KDM1ATP53MAPT
SCHEMBL24469837 0.79 P2RX3 (0.41) P2RX3TP53LMNAMAPTSMN1; SMN2
SCHEMBL24484081 0.76 PDE6D (0.36) TP53PDE10AMAPT
SCHEMBL22845225 0.75 MAPT (0.46) P2RX3KDM1ATP53PDE10AMAPT
SCHEMBL22845209 0.74 MAPT (0.42) TP53KCNK3LMNAMAPTSMN1; SMN2
SCHEMBL22717340 0.74 P2RX3 (0.41) P2RX3KDM1ATP53MAPTSMN1; SMN2

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-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 — — WO disclosed