SCHEMBL25990673

SCHEMBL25990673

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 9/20 0.54
▸ NRAS P01111 3/20 0.54
▸ EIF2AK4 Q9P2K8 7/20 0.36
▸ CYP11B1 P15538 3/20 0.34
▸ CYP11B2 P19099 3/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ IRAK4 Q9NWZ3 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
SCHEMBL25989345 1.00 FLT3 (0.54) FLT3NRASEIF2AK4CYP11B1CYP11B2
SCHEMBL26359533 1.00 FLT3 (0.54) FLT3NRASEIF2AK4CYP11B1CYP11B2
SCHEMBL25989347 1.00 FLT3 (0.54) FLT3NRASEIF2AK4CYP11B1CYP11B2
SCHEMBL24231381 0.93 FLT3 (0.50) FLT3NRASEIF2AK4CYP11B1CYP11B2
SCHEMBL25991299 0.93 FLT3 (0.50) FLT3NRASEIF2AK4CYP11B1CYP11B2
SCHEMBL25988952 0.93 FLT3 (0.50) FLT3NRASEIF2AK4CYP11B1CYP11B2
SCHEMBL24231327 0.93 FLT3 (0.50) FLT3NRASEIF2AK4CYP11B1CYP11B2
SCHEMBL25988951 0.93 FLT3 (0.50) FLT3NRASEIF2AK4CYP11B1CYP11B2
SCHEMBL25991300 0.93 FLT3 (0.50) FLT3NRASEIF2AK4CYP11B1CYP11B2
SCHEMBL24231338 0.92 FLT3 (0.57) FLT3NRASEIF2AK4CYP11B1CYP11B2

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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