SCHEMBL30781192

SCHEMBL30781192

Cc1cc(Cl)cc(-c2ncnn3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)cc23)c1C[C@@H]1CNCCO1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 5/20 0.44
▸ KCNH2 Q12809 2/20 0.41
▸ KIT P10721 1/20 0.31
▸ HSD17B13 Q7Z5P4 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
SCHEMBL27119966 1.00 USP7 (0.44) USP7KCNH2KITHSD17B13
SCHEMBL27119537 1.00 USP7 (0.44) USP7KCNH2KITHSD17B13
SCHEMBL30781291 1.00 USP7 (0.44) USP7KCNH2KITHSD17B13
Hydrochloric Acid SCHEMBL27138149 0.99 USP7 (0.43) USP7KCNH2KITHSD17B13
Hydrochloric Acid SCHEMBL30781412 0.99 USP7 (0.43) USP7KCNH2KITHSD17B13
Hydrochloric Acid SCHEMBL27138152 0.99 USP7 (0.43) USP7KCNH2KITHSD17B13
Hydrochloric Acid SCHEMBL30781420 0.99 USP7 (0.43) USP7KCNH2KITHSD17B13
SCHEMBL30781261 0.93 USP7 (0.43) USP7KCNH2KIT
SCHEMBL27120342 0.93 USP7 (0.43) USP7KCNH2KIT
SCHEMBL27142185 0.93 USP7 (0.43) USP7KCNH2KIT

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
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 — — WO claimed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 — — WO disclosed
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