SCHEMBL31436388

SCHEMBL31436388

CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(CCC(=O)NO)CC3)c(OC)c2)nc1NC1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 13/20 0.73
▸ EML4 Q9HC35 11/20 0.73
▸ ALK Q9UM73 11/20 0.73
▸ RET P07949 11/20 0.73
▸ ROS1 P08922 11/20 0.73
▸ AXL P30530 3/20 0.73
▸ ETV6 P41212 3/20 0.73
▸ BMPR1B O00238 1/20 0.73
▸ PLK4 O00444 1/20 0.73
▸ CIT O14578 1/20 0.73
▸ AURKA O14965 1/20 0.73
▸ GAK O14976 1/20 0.73
▸ EPHB6 O15197 1/20 0.73
▸ RIPK2 O43353 1/20 0.73
▸ BUB1 O43683 1/20 0.73
▸ SNRNP200 O75643 1/20 0.73
▸ STK16 O75716 1/20 0.73
▸ STK10 O94804 1/20 0.73
▸ MAP4K4 O95819 1/20 0.73
▸ LATS1 O95835 1/20 0.73

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
SCHEMBL31436372 0.96 FLT3 (0.71) FLT3EML4ALKRETROS1
SCHEMBL31436348 0.95 FLT3 (0.71) FLT3EML4ALKRETROS1
SCHEMBL31436351 0.95 FLT3 (0.71) FLT3EML4ALKRETROS1
SCHEMBL31436399 0.95 FLT3 (0.71) FLT3EML4ALKRETROS1
SCHEMBL31436371 0.95 FLT3 (0.71) FLT3EML4ALKRETROS1
SCHEMBL31436389 0.90 FLT3 (0.69) FLT3EML4ALKRETROS1
SCHEMBL31436377 0.90 FLT3 (0.69) FLT3EML4ALKRETROS1
SCHEMBL31436396 0.90 FLT3 (0.80) FLT3EML4ALKRETROS1
SCHEMBL10156928 0.90 FLT3 (0.89) FLT3EML4ALKRETROS1
SCHEMBL21455129 0.89 FLT3 (0.82) FLT3EML4ALKRETROS1

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-119306708-A FLT3-HDAC double-target inhibitor and preparation method and application thereof 山东大学 2025-01-14 — — CN claimed
CN-119306708-A FLT3-HDAC double-target inhibitor and preparation method and application thereof 山东大学 2025-01-14 — — CN disclosed
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