SCHEMBL31000253

SCHEMBL31000253

CC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CNCC[C@@H]4F)ncc3F)n2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 7/20 0.42
▸ CCNH P51946 7/20 0.42
▸ MNAT1 P51948 7/20 0.42
▸ CCNT1 O60563 5/20 0.42
▸ CDK9 P50750 5/20 0.42
▸ CCNK O75909 5/20 0.42
▸ CDK12 Q9NYV4 5/20 0.42
▸ CCNE1 P24864 4/20 0.42
▸ CDK2 P24941 4/20 0.42
▸ EIF2AK4 Q9P2K8 1/20 0.39
▸ FLT3 P36888 6/20 0.39
▸ NRAS P01111 3/20 0.39
▸ IRAK4 Q9NWZ3 4/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ RIPK2 O43353 1/20 0.34

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
SCHEMBL31000154 0.93 CDK7 (0.41) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL24231485 0.87 FLT3 (0.52) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL31557799 0.85 IRAK4 (0.47) CDK7CCNHCDK2EIF2AK4FLT3
SCHEMBL24976238 0.85 IRAK4 (0.47) CDK7CCNHCDK2EIF2AK4FLT3
SCHEMBL24231346 0.82 IRAK4 (0.55) CDK7CCNHFLT3NRASIRAK4
SCHEMBL24976243 0.82 IRAK4 (0.42) CDK7CCNHEIF2AK4FLT3NRAS
SCHEMBL31557811 0.82 IRAK4 (0.42) CDK7CCNHEIF2AK4FLT3NRAS
SCHEMBL30621237 0.82 IRAK4 (0.55) CDK7CCNHFLT3NRASIRAK4
SCHEMBL25990958 0.82 IRAK4 (0.55) CDK7CCNHFLT3NRASIRAK4
SCHEMBL25992532 0.82 FLT3 (0.42) CDK7CCNHEIF2AK4FLT3NRAS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 — — EP disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 — — WO disclosed
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