SCHEMBL30698357

SCHEMBL30698357

COc1cc2ncc(-c3nc(N[C@@H]4CCCNC4)c(F)cc3F)n2nc1N1CCCS1(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.50
▸ NRAS P01111 9/20 0.50
▸ CDK7 P50613 4/20 0.37
▸ CCNH P51946 4/20 0.37
▸ MNAT1 P51948 2/20 0.37
▸ CHEK1 O14757 2/20 0.36
▸ CDK2 P24941 2/20 0.34
▸ PDGFRB P09619 2/20 0.34
▸ IRAK1 P51617 2/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ RET P07949 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ CCNK O75909 2/20 0.34
▸ CDK12 Q9NYV4 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 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
SCHEMBL31000141 0.90 CDK7 (0.45) FLT3NRASCDK7CCNHMNAT1
SCHEMBL31739788 0.89 NRAS (0.44) FLT3NRASCDK7CCNHPDGFRB
SCHEMBL27331054 0.86 NRAS (0.39) FLT3NRAS
SCHEMBL27327102 0.86 NRAS (0.39) FLT3NRAS
SCHEMBL31739687 0.85 NRAS (0.51) FLT3NRASCDK7CCNHMNAT1
SCHEMBL30698306 0.83 PIK3CD (0.37) FLT3NRAS
SCHEMBL24542246 0.82 NRAS (0.56) FLT3NRASCDK7CCNHMNAT1
SCHEMBL27198198 0.82 NRAS (0.56) FLT3NRASCDK7CCNHMNAT1
SCHEMBL31740008 0.82 NRAS (0.55) FLT3NRASCDK7CCNHMNAT1
SCHEMBL27330375 0.82 NRAS (0.55) FLT3NRASCDK7CCNHMNAT1

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
EP-4540248-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-04-23 — — EP disclosed
WO-2023245123-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-12-21 — — WO disclosed
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