SCHEMBL31639205

SCHEMBL31639205

[2H]C([2H])([2H])Oc1cc2ncc(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)n2nc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NRAS P01111 3/20 0.44
▸ FLT3 P36888 3/20 0.44
▸ CCNT1 O60563 2/20 0.32
▸ CCNK O75909 2/20 0.32
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ CDK12 Q9NYV4 2/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CCNH P51946 1/20 0.32
▸ MNAT1 P51948 1/20 0.32
▸ IRAK4 Q9NWZ3 4/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 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
SCHEMBL27332857 0.94 FLT3 (0.49) NRASFLT3CCNT1CCNKCCNE1
SCHEMBL24542245 0.94 FLT3 (0.49) NRASFLT3CCNT1CCNKCCNE1
SCHEMBL27327586 0.91 NRAS (0.48) NRASFLT3CCNT1CCNKCCNE1
SCHEMBL31739545 0.91 NRAS (0.48) NRASFLT3CCNT1CCNKCCNE1
SCHEMBL27330282 0.91 NRAS (0.48) NRASFLT3CCNT1CCNKCCNE1
SCHEMBL27330372 0.91 NRAS (0.48) NRASFLT3CCNT1CCNKCCNE1
SCHEMBL27327754 0.91 NRAS (0.48) NRASFLT3CCNT1CCNKCCNE1
SCHEMBL27330294 0.91 NRAS (0.48) NRASFLT3CCNT1CCNKCCNE1
SCHEMBL27327749 0.91 NRAS (0.48) NRASFLT3CCNT1CCNKCCNE1
SCHEMBL27330272 0.88 FLT3 (0.47) NRASFLT3CCNT1CCNKCCNE1

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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