SCHEMBL30866880

SCHEMBL30866880

CN(C)C1CCN(c2ncc(Br)cc2N)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 15/20 0.47
▸ JAK2 O60674 3/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PTPN11 Q06124 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
SCHEMBL21494392 1.00 OPRK1 (0.47) OPRK1JAK2JAK1JAK3PTPN11
SCHEMBL29969803 0.92 JAK2 (0.44) OPRK1JAK2JAK1JAK3
SCHEMBL21513242 0.92 JAK2 (0.44) OPRK1JAK2JAK1JAK3
SCHEMBL21513231 0.85 HRH3 (0.42) OPRK1JAK2JAK1JAK3
SCHEMBL21513238 0.84 OPRK1 (0.48) OPRK1
SCHEMBL29969591 0.84 OPRK1 (0.48) OPRK1
SCHEMBL16795122 0.83 OPRK1 (0.50) OPRK1
SCHEMBL21513247 0.82 OPRK1 (0.40) OPRK1
SCHEMBL29968822 0.82 OPRK1 (0.40) OPRK1
SCHEMBL29493167 0.78 ALDH1A1 (0.47) OPRK1JAK2JAK1JAK3

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-112469720-B Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy 艾科思莱德制药公司 2024-03-29 — — CN disclosed
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