SCHEMBL31000154

SCHEMBL31000154

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 5/20 0.41
▸ CCNH P51946 5/20 0.41
▸ MNAT1 P51948 5/20 0.41
▸ CCNT1 O60563 4/20 0.41
▸ CDK9 P50750 4/20 0.41
▸ CCNK O75909 4/20 0.41
▸ CDK12 Q9NYV4 4/20 0.41
▸ CCNE1 P24864 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ EIF2AK4 Q9P2K8 3/20 0.40
▸ FLT3 P36888 5/20 0.38
▸ NRAS P01111 3/20 0.38
▸ IRAK4 Q9NWZ3 4/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ CYP11B1 P15538 3/20 0.33
▸ CYP11B2 P19099 3/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL31000253 0.93 CDK7 (0.42) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL25998145 0.89 FLT3 (0.42) CDK7CCNHEIF2AK4FLT3NRAS
SCHEMBL25988957 0.89 FLT3 (0.42) CDK7CCNHEIF2AK4FLT3NRAS
SCHEMBL25988960 0.89 FLT3 (0.42) CDK7CCNHEIF2AK4FLT3NRAS
SCHEMBL25992532 0.89 FLT3 (0.42) CDK7CCNHEIF2AK4FLT3NRAS
SCHEMBL24231327 0.88 FLT3 (0.50) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL25991299 0.88 FLT3 (0.50) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL25988952 0.88 FLT3 (0.50) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL24231381 0.88 FLT3 (0.50) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL25991300 0.88 FLT3 (0.50) CDK7CCNHMNAT1CCNT1CDK9

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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