SCHEMBL31639364

SCHEMBL31639364

COc1cc2nc(C(C)(C)O)c(-c3ccc(F)c(N[C@H]4CNCC[C@@H]4F)n3)n2nc1C1CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.32
▸ CHEK1 O14757 2/20 0.32
▸ CHEK2 O96017 2/20 0.32
▸ IRAK4 Q9NWZ3 4/20 0.31
▸ NRAS P01111 1/20 0.30
▸ FLT3 P36888 1/20 0.30

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
SCHEMBL31639290 0.86 ALK (0.34) IRAK4
SCHEMBL31639283 0.86 ALK (0.34) IRAK4
SCHEMBL27330136 0.84 FLT3 (0.41) CHEK2IRAK4NRASFLT3
SCHEMBL27327565 0.84 FLT3 (0.41) CHEK2IRAK4NRASFLT3
SCHEMBL31639293 0.83 TRPV3 (0.37) —
SCHEMBL27330374 0.81 FLT3 (0.40) CHEK1CHEK2IRAK4NRASFLT3
SCHEMBL27327760 0.81 FLT3 (0.40) CHEK1CHEK2IRAK4NRASFLT3
SCHEMBL31639581 0.79 TNF (0.37) TNF
SCHEMBL27330147 0.77 FLT3 (0.42) CHEK2IRAK4NRASFLT3
SCHEMBL27327562 0.77 FLT3 (0.42) CHEK2IRAK4NRASFLT3

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-2025137567-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2025-06-26 — — WO disclosed
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