SCHEMBL31000199

SCHEMBL31000199

CC(C)(C)OC(=O)N1C[C@H](Nc2ncc(F)c(-c3cnc4cnc(C(C)(C)O)cn34)n2)[C@@H](F)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCND3 P30281 1/20 0.40
▸ CDK6 Q00534 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.39
▸ DYRK2 Q92630 5/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ EIF2AK4 Q9P2K8 7/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ ALK Q9UM73 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
SCHEMBL31000156 0.82 CDK4 (0.45) CDK4CCND1CCND3CDK6USP30
SCHEMBL31000223 0.80 FLT3 (0.37) CDK4CCND1CCND3CDK6IGF1R
SCHEMBL31000153 0.80 CDK4 (0.43) CDK4CCND1CCND3CDK6DYRK2
SCHEMBL31000140 0.79 CDK4 (0.44) CDK4CCND1CCND3CDK6DYRK2
SCHEMBL31000111 0.78 CDK4 (0.40) CDK4CCND1CCND3CDK6USP30
SCHEMBL30716643 0.77 EIF2AK4 (0.38) USP30EIF2AK4GPR119
SCHEMBL30716642 0.77 EIF2AK4 (0.38) USP30EIF2AK4GPR119
SCHEMBL24574432 0.77 USP30 (0.39) USP30EIF2AK4GPR119PIK3CD
SCHEMBL24574187 0.76 FLT3 (0.45) USP30EIF2AK4
SCHEMBL24574188 0.76 FLT3 (0.45) USP30EIF2AK4

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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