SCHEMBL28709581

SCHEMBL28709581

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 10/20 0.55
▸ EIF2AK4 Q9P2K8 1/20 0.46
▸ OPRK1 P41145 6/20 0.43
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42

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
SCHEMBL29749147 0.90 RET (0.53) RETEIF2AK4OPRK1CKS1BSKP1
SCHEMBL21564574 0.89 RET (0.45) RETEIF2AK4OPRK1CKS1BSKP1
SCHEMBL28542249 0.89 RET (0.45) RETEIF2AK4OPRK1CKS1BSKP1
SCHEMBL28542250 0.89 RET (0.45) RETEIF2AK4OPRK1CKS1BSKP1
SCHEMBL29891163 0.89 RET (0.45) RETEIF2AK4OPRK1CKS1BSKP1
SCHEMBL21564571 0.89 RET (0.45) RETEIF2AK4OPRK1CKS1BSKP1
SCHEMBL389068 0.86 SYK (0.53) RETCKS1BSKP1SKP2SYK
SCHEMBL389069 0.86 SYK (0.53) RETCKS1BSKP1SKP2SYK
SCHEMBL390147 0.86 SYK (0.53) RETCKS1BSKP1SKP2SYK
SCHEMBL3025692 0.84 CKS1B (0.60) RETOPRK1CKS1BSKP1SKP2

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
CN-113461670-B Novel compounds as inhibitors of rearrangement kinase during transfection 南京天印健华医药科技有限公司 2024-08-09 — — CN disclosed
CN-113461670-A Novel compounds as inhibitors of rearrangement kinase during transfection 南京天印健华医药科技有限公司 2021-10-01 — — CN disclosed
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