SCHEMBL28516710

SCHEMBL28516710

CN(C)c1n[nH]c2nc(Nc3cccc4c3CCC4)c(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 1/20 0.41
▸ EGFR P00533 1/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ KCNK2 O95069 1/20 0.36
▸ KCNK10 P57789 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KCNK18 Q7Z418 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CCR4 P51679 1/20 0.36
▸ ULK1 O75385 1/20 0.36
▸ ZAP70 P43403 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RXRA P19793 2/20 0.34
▸ RXRB P28702 2/20 0.34
▸ RXRG P48443 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ ALOX5 P09917 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 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
SCHEMBL29874266 1.00 NISCH (0.41) NISCHEGFRMEN1KCNK2KCNK10
SCHEMBL30791217 0.87 NISCH (0.43) NISCHEGFRMEN1KCNK2KCNK10
SCHEMBL23356014 0.87 NISCH (0.43) NISCHEGFRMEN1KCNK2KCNK10
SCHEMBL23356095 0.87 NISCH (0.43) NISCHEGFRMEN1KCNK2KCNK10
SCHEMBL30791277 0.87 NISCH (0.43) NISCHEGFRMEN1KCNK2KCNK10
SCHEMBL30791210 0.87 NISCH (0.42) NISCHEGFRMEN1KCNK2KCNK10
SCHEMBL23356021 0.87 NISCH (0.42) NISCHEGFRMEN1KCNK2KCNK10
SCHEMBL23356090 0.86 NISCH (0.42) NISCHEGFRMEN1KCNK2KCNK10
SCHEMBL30791245 0.86 NISCH (0.42) NISCHEGFRMEN1KCNK2KCNK10
SCHEMBL23356028 0.86 EGFR (0.46) NISCHEGFRMEN1KCNK2KCNK10

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
CN-112313232-B Novel heterocyclic derivatives JW中外制药公司 2024-03-08 — — CN disclosed
CN-112313232-A Novel heterocyclic derivatives JW中外制药公司 2021-02-02 — — CN disclosed
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