SCHEMBL21674830

SCHEMBL21674830

COC(=O)N1c2ccc(-c3cnn(CC4CNCCN4)c3)cc2N(C(=O)OC(C)C)C[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 17/20 0.46
▸ CREBBP Q92793 9/20 0.36
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ IDH1 O75874 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
SCHEMBL17018283 0.89 BRD4 (0.46) BRD4CREBBPGSK3BDYRK1A
SCHEMBL17018282 0.89 BRD4 (0.46) BRD4CREBBPGSK3BDYRK1A
SCHEMBL21249959 0.87 BRD4 (0.47) BRD4CREBBPGSK3BDYRK1A
SCHEMBL17018120 0.86 BRD4 (0.51) BRD4CREBBPGSK3BDYRK1ANAMPT
SCHEMBL23733972 0.85 BRD4 (0.42) BRD4CREBBPIDH1
SCHEMBL17018259 0.84 BRD4 (0.49) BRD4GSK3BDYRK1ANAMPT
SCHEMBL17018249 0.84 BRD4 (0.49) BRD4CREBBPGSK3BDYRK1A
SCHEMBL17018118 0.84 BRD4 (0.52) BRD4CREBBPNAMPTIDH1
SCHEMBL16722066 0.83 BRD4 (0.51) BRD4CREBBPGSK3BDYRK1ANAMPT
SCHEMBL17018117 0.82 BRD4 (0.51) BRD4NAMPTIDH1

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
EP-3071205-B1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-05 — — EP disclosed
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