SCHEMBL30628513

SCHEMBL30628513

C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(c2cc(CF)ncc2[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
▸ DRD2 P14416 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SYK P43405 2/20 0.33
▸ RORC P51449 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ GPR174 Q9BXC1 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CKS1B P61024 1/20 0.33
▸ SKP1 P63208 1/20 0.33

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
SCHEMBL30628525 0.92 EIF2AK4 (0.42) EIF2AK4AURKAPDPK1AURKBDRD2
SCHEMBL30628506 0.88 EIF2AK4 (0.47) EIF2AK4AURKAPDPK1AURKBDRD2
SCHEMBL30628523 0.87 EIF2AK4 (0.43) EIF2AK4AURKAPDPK1AURKBDRD2
SCHEMBL26632117 0.87 MAPT (0.36) MAPTALDH1A1LMNAGPR174HPGD
SCHEMBL30628531 0.87 EIF2AK4 (0.42) EIF2AK4AURKAPDPK1AURKBDRD2
SCHEMBL30628504 0.87 EIF2AK4 (0.42) EIF2AK4AURKAPDPK1AURKBDRD2
SCHEMBL30628529 0.86 EIF2AK4 (0.42) EIF2AK4AURKAPDPK1AURKBDRD2
SCHEMBL30628494 0.86 EIF2AK4 (0.42) EIF2AK4AURKAPDPK1AURKBJAK3
SCHEMBL30628521 0.85 EIF2AK4 (0.42) EIF2AK4AURKAPDPK1AURKBDRD2
SCHEMBL30628508 0.84 EIF2AK4 (0.40) EIF2AK4AURKAPDPK1AURKBDRD2

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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