SCHEMBL25990668

SCHEMBL25990668

CC(C)(O)c1ccc2ncc(-c3nc(NC4CNCC4F)c(F)cc3F)n2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.57
▸ NRAS P01111 4/20 0.57
▸ RIPK2 O43353 1/20 0.36
▸ EIF2AK4 Q9P2K8 4/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 2/20 0.32

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
SCHEMBL24231338 1.00 FLT3 (0.57) FLT3NRASRIPK2EIF2AK4PIK3CD
SCHEMBL25990673 0.92 FLT3 (0.54) FLT3NRASEIF2AK4IRAK4CYP11B1
SCHEMBL25989347 0.92 FLT3 (0.54) FLT3NRASEIF2AK4IRAK4CYP11B1
SCHEMBL25989345 0.92 FLT3 (0.54) FLT3NRASEIF2AK4IRAK4CYP11B1
SCHEMBL26359533 0.92 FLT3 (0.54) FLT3NRASEIF2AK4IRAK4CYP11B1
SCHEMBL24231485 0.92 FLT3 (0.52) FLT3NRASRIPK2EIF2AK4PIK3CD
SCHEMBL24574347 0.87 FLT3 (0.51) FLT3NRASIRAK4
SCHEMBL27369249 0.87 FLT3 (0.51) FLT3NRASIRAK4
SCHEMBL26357834 0.87 NRAS (0.49) FLT3NRASRIPK2EIF2AK4PIK3CD
SCHEMBL26358008 0.87 FLT3 (0.49) FLT3NRASRIPK2EIF2AK4PIK3CD

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-2023150601-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-08-10 — — WO disclosed
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