SCHEMBL30628505

SCHEMBL30628505

C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(c2c(Br)cncc2[N+](=O)[O-])C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ BTK Q06187 2/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ SUV39H2 Q9H5I1 2/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ CKS1B P61024 1/20 0.33
▸ SKP1 P63208 1/20 0.33
▸ SKP2 Q13309 1/20 0.33
▸ MAP4K4 O95819 2/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL30628519 0.90 EIF2AK4 (0.42) EIF2AK4AURKAPDPK1AURKBBTK
SCHEMBL30628510 0.89 EIF2AK4 (0.45) EIF2AK4AURKAPDPK1AURKBBTK
SCHEMBL30628509 0.88 EIF2AK4 (0.41) EIF2AK4AURKAPDPK1AURKBBTK
SCHEMBL30628495 0.87 EIF2AK4 (0.41) EIF2AK4AURKAPDPK1AURKBBTK
SCHEMBL26632113 0.86 ALDH1A1 (0.36) KMT2AMAPTMEN1ALDH1A1
SCHEMBL26758703 0.85 AURKA (0.46) EIF2AK4AURKAPDPK1AURKBBTK
SCHEMBL30628535 0.85 AURKA (0.46) EIF2AK4AURKAPDPK1AURKBBTK
SCHEMBL30628500 0.84 EIF2AK4 (0.44) EIF2AK4AURKAPDPK1AURKBBTK
SCHEMBL16608976 0.84 CKS1B (0.45) BTKJAK3SUV39H2DRD2CKS1B
SCHEMBL11912147 0.82 EIF2AK4 (0.46) EIF2AK4AURKAPDPK1AURKBDPP4

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-2023211256-A1 NOVEL PIM KINASE INHIBITORS AND USES THEREOF 제일약품주식회사 2023-11-02 — — WO disclosed
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