SCHEMBL24976679

SCHEMBL24976679

CC(O)(c1cn2c(-c3cncc(N[C@H]4CNC[C@@H]4F)n3)cnc2cn1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.36
▸ FLT3 P36888 15/20 0.36
▸ NRAS P01111 4/20 0.36
▸ DYRK1A Q13627 4/20 0.35
▸ CLK2 P49760 2/20 0.35
▸ CLK3 P49761 2/20 0.35
▸ GSK3B P49841 2/20 0.35

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
SCHEMBL31557818 1.00 IRAK4 (0.36) IRAK4FLT3NRASDYRK1ACLK2
SCHEMBL24976188 1.00 IRAK4 (0.36) IRAK4FLT3NRASDYRK1ACLK2
SCHEMBL31557810 0.92 FLT3 (0.38) IRAK4FLT3NRASDYRK1ACLK2
SCHEMBL24975875 0.92 FLT3 (0.38) IRAK4FLT3NRASDYRK1ACLK2
SCHEMBL24574348 0.89 FLT3 (0.48) IRAK4FLT3NRAS
SCHEMBL29748633 0.89 FLT3 (0.48) IRAK4FLT3NRAS
SCHEMBL24574380 0.89 FLT3 (0.48) IRAK4FLT3NRAS
SCHEMBL27369260 0.89 FLT3 (0.48) IRAK4FLT3NRAS
SCHEMBL29748417 0.88 FLT3 (0.39) IRAK4FLT3NRAS
SCHEMBL24574063 0.88 FLT3 (0.39) IRAK4FLT3NRAS

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
WO-2023009833-A9 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-11-23 — — WO disclosed
WO-2023009833-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-02-02 — — WO disclosed
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