SCHEMBL31639283

SCHEMBL31639283

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 2/20 0.34
▸ KCNH2 Q12809 5/20 0.32
▸ SYK P43405 4/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ IRAK4 Q9NWZ3 5/20 0.31
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ PLK1 P53350 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ PLK3 Q9H4B4 1/20 0.30
▸ PLK2 Q9NYY3 1/20 0.30
▸ SCN5A Q14524 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 1.00 ALK (0.34) ALKKCNH2SYKCYP2D6RPS6KB1
SCHEMBL31639364 0.86 TNF (0.32) IRAK4
SCHEMBL31639280 0.83 DNMT3A (0.36) ALK
SCHEMBL27327565 0.83 FLT3 (0.41) KCNH2CYP2D6IRAK4CDK2
SCHEMBL27330136 0.83 FLT3 (0.41) KCNH2CYP2D6IRAK4CDK2
SCHEMBL31739699 0.77 FLT3 (0.37) IRAK4
SCHEMBL27330147 0.77 FLT3 (0.42) KCNH2CYP2D6IRAK4
SCHEMBL27327562 0.77 FLT3 (0.42) KCNH2CYP2D6IRAK4
SCHEMBL27329552 0.77 FLT3 (0.37) IRAK4
SCHEMBL27326947 0.77 FLT3 (0.37) IRAK4

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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