SCHEMBL21564571

SCHEMBL21564571

CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Br)cn2)CC1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 9/20 0.45
▸ SYK P43405 2/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ EIF2AK4 Q9P2K8 1/20 0.41
▸ MAP4K4 O95819 2/20 0.41
▸ JAK3 P52333 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.40
▸ CHRM4 P08173 1/20 0.39
▸ SUV39H2 Q9H5I1 1/20 0.39

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
SCHEMBL29891163 1.00 RET (0.45) RETSYKOPRK1CKS1BSKP1
SCHEMBL28542250 1.00 RET (0.45) RETSYKOPRK1CKS1BSKP1
SCHEMBL28542249 1.00 RET (0.45) RETSYKOPRK1CKS1BSKP1
SCHEMBL21564574 1.00 RET (0.45) RETSYKOPRK1CKS1BSKP1
SCHEMBL28709581 0.89 RET (0.55) RETSYKOPRK1CKS1BSKP1
SCHEMBL389068 0.85 SYK (0.53) RETSYKCKS1BSKP1SKP2
SCHEMBL390147 0.85 SYK (0.53) RETSYKCKS1BSKP1SKP2
SCHEMBL389069 0.85 SYK (0.53) RETSYKCKS1BSKP1SKP2
SCHEMBL21551489 0.85 OPRK1 (0.45) SYKOPRK1JAK3CHRM4
SCHEMBL21551488 0.85 OPRK1 (0.45) SYKOPRK1JAK3CHRM4

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
WO-2019215341-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 — — WO disclosed
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