SCHEMBL24096774

SCHEMBL24096774

CCOC(=O)[C@@H]1C[C@H](Nc2nc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)c(Cl)n3ccnc23)CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PIM1 P11309 1/20 0.35
▸ MARK3 P27448 1/20 0.35
▸ MAP4K2 Q12851 1/20 0.35
▸ CAMK2B Q13554 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SRC P12931 4/20 0.33
▸ ACHE P22303 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ MAPK8 P45983 5/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ MAST3 O60307 1/20 0.32
▸ P2RX3 P56373 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
SCHEMBL24096785 1.00 L3MBTL1 (0.38) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL24096850 0.90 PIM1 (0.36) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL24096848 0.90 PIM1 (0.36) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL24096727 0.84 PIM1 (0.38) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL24096729 0.84 PIM1 (0.38) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL24096628 0.82 USP30 (0.42) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL24096772 0.82 CTSL (0.33) SRCMAPK8MAST3P2RX3
SCHEMBL24096768 0.82 CTSL (0.33) SRCMAPK8MAST3P2RX3
SCHEMBL24096827 0.81 PIM1 (0.41) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL24096837 0.80 EPHX2 (0.43) L3MBTL1PIM1MARK3MAP4K2CAMK2B

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
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