SCHEMBL26632104

SCHEMBL26632104

C[C@@H]1C[C@H](NC(=O)O)CN(c2c(N)cncc2Br)C1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ SMYD3 Q9H7B4 1/20 0.30
▸ CHRM4 P08173 1/20 0.30

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
SCHEMBL26632110 0.90 PIM2 (0.33) AURKAPDPK1AURKBCHRM4
SCHEMBL26632142 0.87 USP30 (0.32) CHRM4
SCHEMBL26632148 0.87 CHRM4 (0.33) AURKAPDPK1AURKBCHRM4
SCHEMBL26758703 0.85 AURKA (0.46) AURKAPDPK1AURKB
SCHEMBL30628535 0.85 AURKA (0.46) AURKAPDPK1AURKB
SCHEMBL26632113 0.83 ALDH1A1 (0.36) —
SCHEMBL16694846 0.79 CYP3A4 (0.39) SMYD3
SCHEMBL13736950 0.79 PIM2 (0.41) CHRM4
SCHEMBL1710543 0.79 PIM2 (0.41) CHRM4
SCHEMBL15808618 0.79 PIM2 (0.41) CHRM4

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
Send feedback