SCHEMBL31000294

SCHEMBL31000294

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 4/20 0.50
▸ CCNH P51946 4/20 0.50
▸ MNAT1 P51948 4/20 0.50
▸ CCNK O75909 4/20 0.50
▸ CDK12 Q9NYV4 4/20 0.50
▸ CCNT1 O60563 3/20 0.50
▸ CCNE1 P24864 3/20 0.50
▸ CDK2 P24941 3/20 0.50
▸ CDK9 P50750 3/20 0.50
▸ IGF1R P08069 13/20 0.43
▸ KCNH2 Q12809 8/20 0.43
▸ CDK4 P11802 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CCND3 P30281 1/20 0.37
▸ CDK6 Q00534 1/20 0.37
▸ NRAS P01111 1/20 0.36
▸ FLT3 P36888 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
SCHEMBL31000133 0.94 CDK7 (0.42) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL31000198 0.91 CDK7 (0.41) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL31000232 0.85 FLT3 (0.39) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL31000215 0.85 FLT3 (0.39) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL31000224 0.85 FLT3 (0.39) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL24975698 0.85 FLT3 (0.41) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL31557816 0.85 FLT3 (0.41) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL27362507 0.85 FLT3 (0.41) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL31000190 0.84 FLT3 (0.39) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL27327896 0.84 NRAS (0.42) CDK7CCNHMNAT1CCNKCDK12

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
Send feedback