SCHEMBL30480876

SCHEMBL30480876

CNC(=O)c1ccc(-c2cc3c(cc2C#N)NCCC3)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OTUD7B Q6GQQ9 2/20 0.42
▸ USP30 Q70CQ3 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ AR P10275 5/20 0.38
▸ KDM1A O60341 2/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.36
▸ PIP5K1C O60331 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PI4KA P42356 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ XIAP P98170 1/20 0.36
▸ BIRC2 Q13490 1/20 0.36

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
SCHEMBL26112159 1.00 OTUD7B (0.42) OTUD7BUSP30BRD4CREBBPMAPT
SCHEMBL30993515 0.88 EED (0.37) MAPTARPARP1CYP11B2
SCHEMBL24316742 0.82 CREBBP (0.52) BRD4CREBBPMAPT
SCHEMBL30480867 0.82 OTUD7B (0.48) OTUD7BUSP30MAPTPARP1PIP5K1C
SCHEMBL24316847 0.80 USP30 (0.43) OTUD7BUSP30BRD4CREBBPMAPT
SCHEMBL17809596 0.80 CREBBP (0.43) OTUD7BUSP30BRD4CREBBPMAPT
SCHEMBL17806331 0.77 CREBBP (0.43) OTUD7BUSP30BRD4CREBBPAR
SCHEMBL30993069 0.74 MAPK1 (0.39) MAPTPARP1CYP11B2
SCHEMBL30993509 0.72 GAA (0.40) MAPTPARP1CYP11B2
SCHEMBL31601615 0.71 USP30 (0.45) USP30BRD4CREBBPCYP11B2

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
CN-116368128-A Heterocyclic compounds as CBP/EP300 bromodomain inhibitors 奥瑞基尼肿瘤有限公司 2023-06-30 — — CN disclosed
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