SCHEMBL24096729

SCHEMBL24096729

CC(C)(C)OC(=O)N1CC(O)CC(Nc2nc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)c(Cl)n3ccnc23)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.38
▸ MARK3 P27448 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ CAMK2B Q13554 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ MAPK8 P45983 12/20 0.37
▸ POLR1A O95602 1/20 0.37
▸ BRD4 O60885 2/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ MAST3 O60307 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
SCHEMBL24096727 1.00 PIM1 (0.38) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL24096628 0.90 USP30 (0.42) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL24096827 0.89 PIM1 (0.41) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL24096850 0.85 PIM1 (0.36) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL24096848 0.85 PIM1 (0.36) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL24096774 0.84 L3MBTL1 (0.38) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL24096785 0.84 L3MBTL1 (0.38) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL24096837 0.83 EPHX2 (0.43) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL24096835 0.81 JAK3 (0.41) PIM1PIM2BRD4USP30
SCHEMBL24096927 0.80 JAK3 (0.36) MAPK8POLR1ACNR1CNR2USP30

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-2021249417-A1 HETEROCYCLIC COMPOUND AND DERIVATIVE THEREOF 赛诺哈勃药业(成都)有限公司 2021-12-16 — — WO disclosed
Send feedback