SCHEMBL31000190

SCHEMBL31000190

COc1cc2ncc(-c3nc(N[C@H]4CNCC[C@@H]4F)ncc3F)n2nc1C1CC(F)(F)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 10/20 0.39
▸ NRAS P01111 9/20 0.39
▸ CDK7 P50613 4/20 0.37
▸ CCNH P51946 4/20 0.37
▸ CDK2 P24941 3/20 0.37
▸ CCNT1 O60563 2/20 0.37
▸ CCNK O75909 2/20 0.37
▸ CCNE1 P24864 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ CDK12 Q9NYV4 2/20 0.37
▸ MNAT1 P51948 2/20 0.37
▸ IGF1R P08069 2/20 0.34
▸ IRAK1 P51617 3/20 0.33
▸ PDGFRB P09619 2/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ RET P07949 1/20 0.33
▸ CDK4 P11802 3/20 0.33
▸ CCND1 P24385 3/20 0.33
▸ CDK6 Q00534 3/20 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
SCHEMBL31000198 0.93 CDK7 (0.41) FLT3NRASCDK7CCNHCDK2
SCHEMBL31000224 0.90 FLT3 (0.39) FLT3NRASCDK7CCNHCDK2
SCHEMBL31000232 0.90 FLT3 (0.39) FLT3NRASCDK7CCNHCDK2
SCHEMBL31000215 0.90 FLT3 (0.39) FLT3NRASCDK7CCNHCDK2
SCHEMBL31000184 0.86 FLT3 (0.39) FLT3NRASCDK7CCNHCDK2
SCHEMBL31000294 0.84 CDK7 (0.50) FLT3NRASCDK7CCNHCDK2
SCHEMBL27327738 0.83 FLT3 (0.47) FLT3NRASCDK7CCNHIRAK1
SCHEMBL27330290 0.83 FLT3 (0.47) FLT3NRASCDK7CCNHIRAK1
SCHEMBL24542245 0.82 FLT3 (0.49) FLT3NRASCDK7CCNHCDK2
SCHEMBL31739753 0.82 FLT3 (0.41) FLT3NRASCDK7CCNHCDK2

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-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 — — EP disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 — — WO disclosed
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