SCHEMBL29157675

SCHEMBL29157675

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOC1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 14/20 0.92
▸ EML4 Q9HC35 13/20 0.92
▸ ALK Q9UM73 13/20 0.92
▸ RET P07949 12/20 0.92
▸ ROS1 P08922 12/20 0.92
▸ AXL P30530 2/20 0.92
▸ ETV6 P41212 2/20 0.92
▸ BMPR1B O00238 1/20 0.92
▸ PLK4 O00444 1/20 0.92
▸ CIT O14578 1/20 0.92
▸ AURKA O14965 1/20 0.92
▸ GAK O14976 1/20 0.92
▸ EPHB6 O15197 1/20 0.92
▸ RIPK2 O43353 1/20 0.92
▸ BUB1 O43683 1/20 0.92
▸ SNRNP200 O75643 1/20 0.92
▸ STK16 O75716 1/20 0.92
▸ STK10 O94804 1/20 0.92
▸ MAP4K4 O95819 1/20 0.92
▸ LATS1 O95835 1/20 0.92

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
Gilteritinib SCHEMBL29355822 0.96 FLT3 (1.00) FLT3EML4ALKRETROS1
Gilteritinib SCHEMBL29432551 0.96 FLT3 (1.00) FLT3EML4ALKRETROS1
Gilteritinib SCHEMBL282229 0.96 FLT3 (1.00) FLT3EML4ALKRETROS1
SCHEMBL328303 0.93 FLT3 (0.94) FLT3EML4ALKRETROS1
Gilteritinib SCHEMBL29357951 0.92 FLT3 (1.00) FLT3EML4ALKRETROS1
Gilteritinib SCHEMBL21819929 0.92 FLT3 (1.00) FLT3EML4ALKRETROS1
Gilteritinib SCHEMBL22684910 0.91 FLT3 (0.91) FLT3EML4ALKRETROS1
Gilteritinib SCHEMBL22684912 0.91 FLT3 (0.91) FLT3EML4ALKRETROS1
SCHEMBL21455071 0.90 FLT3 (0.89) FLT3EML4ALKRETROS1
SCHEMBL22652336 0.90 FLT3 (0.89) 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-118021814-A Combination therapy with EHMT2 inhibitors EPIZYME股份有限公司 2024-05-14 — — CN disclosed
CN-110621316-B Combination therapy with EHMT2 inhibitors EPIZYME股份有限公司 2024-01-26 — — CN disclosed
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