SCHEMBL23997412

SCHEMBL23997412

CNc1ccccc1N(C=O)Cc1ccc(CN2CCCC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ACACB O00763 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.41
▸ KCNH2 Q12809 1/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ IGF1R P08069 1/20 0.38

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
SCHEMBL11048476 0.73 L3MBTL1 (0.56) L3MBTL1ACACBHRH3KCNH2CDC7
SCHEMBL23997262 0.72 MAPT (0.43) KMT2ARAB9A
SCHEMBL11200681 0.71 L3MBTL1 (0.76) L3MBTL1ACACBHRH3KCNH2CDC7
SCHEMBL23997165 0.71 KMT2A (0.41) KMT2ARAB9A
SCHEMBL23997321 0.70 — —
SCHEMBL27379105 0.70 L3MBTL1 (0.86) L3MBTL1ACACBHRH3KCNH2LMNA
SCHEMBL180739 0.70 L3MBTL1 (0.86) L3MBTL1ACACBHRH3KCNH2LMNA
SCHEMBL15491147 0.70 L3MBTL1 (0.59) L3MBTL1ACACBHRH3KCNH2CDC7
SCHEMBL23997213 0.69 — —
SCHEMBL596252 0.69 L3MBTL1 (0.96) L3MBTL1ACACBHRH3KCNH2KMT2A

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-2021226003-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-11-11 — — WO disclosed
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