SCHEMBL31000133

SCHEMBL31000133

COc1cc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)ncc3Cl)n2nc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 4/20 0.42
▸ CCNH P51946 4/20 0.42
▸ MNAT1 P51948 4/20 0.42
▸ CDK2 P24941 4/20 0.42
▸ CCNK O75909 3/20 0.42
▸ CDK12 Q9NYV4 3/20 0.42
▸ CCNT1 O60563 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK9 P50750 2/20 0.42
▸ IGF1R P08069 15/20 0.42
▸ KCNH2 Q12809 8/20 0.42
▸ JUN P05412 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ INSR P06213 1/20 0.36

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
SCHEMBL31000294 0.94 CDK7 (0.50) CDK7CCNHMNAT1CDK2CCNK
SCHEMBL31000198 0.85 CDK7 (0.41) CDK7CCNHMNAT1CDK2CCNK
SCHEMBL24975656 0.85 FLT3 (0.37) CDK7CCNHCDK2CCNT1CDK9
SCHEMBL31557787 0.85 FLT3 (0.37) CDK7CCNHCDK2CCNT1CDK9
SCHEMBL27331053 0.84 FLT3 (0.38) CDK7CCNH
SCHEMBL27327101 0.84 FLT3 (0.38) CDK7CCNH
SCHEMBL27329389 0.84 NRAS (0.36) CDK7CCNH
SCHEMBL31739697 0.84 NRAS (0.36) CDK7CCNH
SCHEMBL27326929 0.84 NRAS (0.36) CDK7CCNH
SCHEMBL27326946 0.83 FLT3 (0.37) CDK7CCNH

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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