SCHEMBL27369252

SCHEMBL27369252

CC(O)(c1cn2c(-c3cc(F)cc(NC4CNCC4F)n3)cnc2cn1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 19/20 0.39
▸ IRAK4 Q9NWZ3 4/20 0.35
▸ NRAS P01111 6/20 0.35
▸ IRAK1 P51617 1/20 0.31

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
SCHEMBL29748417 1.00 FLT3 (0.39) FLT3IRAK4NRASIRAK1
SCHEMBL24574063 1.00 FLT3 (0.39) FLT3IRAK4NRASIRAK1
SCHEMBL31068074 0.92 FLT3 (0.38) FLT3IRAK4NRASIRAK1
SCHEMBL24574002 0.92 FLT3 (0.38) FLT3IRAK4NRASIRAK1
SCHEMBL27369776 0.92 FLT3 (0.38) FLT3IRAK4NRASIRAK1
SCHEMBL24573939 0.90 FLT3 (0.42) FLT3IRAK4NRASIRAK1
SCHEMBL24976679 0.88 IRAK4 (0.36) FLT3IRAK4NRAS
SCHEMBL24574348 0.88 FLT3 (0.48) FLT3IRAK4NRASIRAK1
SCHEMBL31557818 0.88 IRAK4 (0.36) FLT3IRAK4NRAS
SCHEMBL24574380 0.88 FLT3 (0.48) FLT3IRAK4NRASIRAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023250431-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-12-28 — — WO disclosed
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