SCHEMBL24096837

SCHEMBL24096837

CC(C)(C)OC(=O)n1cc(-c2nc(N[C@@H]3CNc4ccccc4C3)c3nccn3c2Cl)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ BRD4 O60885 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ 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 5/20 0.35
▸ MAPK1 P28482 4/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL24096632 0.84 FNTA (0.32) EPHX2PIM1MARK3MAP4K2CAMK2B
SCHEMBL24096786 0.84 CNR1 (0.31) EPHX2MAPK8CNR1CNR2
SCHEMBL24096628 0.84 USP30 (0.42) BRD4PIM1MARK3MAP4K2CAMK2B
SCHEMBL24096827 0.83 PIM1 (0.41) BRD4PIM1MARK3MAP4K2CAMK2B
SCHEMBL24096729 0.83 PIM1 (0.38) BRD4CREBBPPIM1MARK3MAP4K2
SCHEMBL24096727 0.83 PIM1 (0.38) BRD4CREBBPPIM1MARK3MAP4K2
SCHEMBL24096850 0.81 PIM1 (0.36) BRD4CREBBPPIM1MARK3MAP4K2
SCHEMBL24096848 0.81 PIM1 (0.36) BRD4CREBBPPIM1MARK3MAP4K2
SCHEMBL24096774 0.80 L3MBTL1 (0.38) BRD4CREBBPPIM1MARK3MAP4K2
SCHEMBL24096828 0.78 PIM1 (0.42) BRD4CREBBPPIM1MARK3MAP4K2

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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