SCHEMBL31286029

SCHEMBL31286029

CC(C)(C)OC(=O)NC1[C@H]2CN(c3ccc(Br)cn3)C[C@@H]12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.45
▸ RET P07949 5/20 0.43
▸ CPB2 Q96IY4 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ AKR1C3 P42330 1/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PANK3 Q9H999 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ JAK3 P52333 1/20 0.38

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
SCHEMBL29921126 1.00 ACACB (0.45) ACACBRETCPB2PPARGPPARD
SCHEMBL22795648 1.00 ACACB (0.45) ACACBRETCPB2PPARGPPARD
SCHEMBL22795726 1.00 ACACB (0.45) ACACBRETCPB2PPARGPPARD
SCHEMBL5516092 1.00 ACACB (0.45) ACACBRETCPB2PPARGPPARD
SCHEMBL5738130 1.00 ACACB (0.45) ACACBRETCPB2PPARGPPARD
SCHEMBL31370459 0.89 PDE10A (0.50) ACACBRETCPB2PDE10ACKS1B
SCHEMBL29749147 0.85 RET (0.53) ACACBRETCPB2PDE10ACKS1B
SCHEMBL4789103 0.83 DPP4 (0.50) RETPANK3JAK3BTKCHRM4
SCHEMBL390147 0.83 SYK (0.53) RETPDE10ACKS1BSKP1SKP2
SCHEMBL389068 0.83 SYK (0.53) RETPDE10ACKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119053596-A Heterocyclic compounds as kinase inhibitors, compositions and methods of use 捷思英达控股有限公司 2024-11-29 — — CN disclosed
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