SCHEMBL21638627

SCHEMBL21638627

CC(C)CC(=O)N1c2ccc(-c3cnn(C[C@H]4CCNC4)c3)cc2N(C(=O)O)C[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 0.46
▸ GSK3B P49841 4/20 0.36
▸ DYRK1A Q13627 4/20 0.36
▸ IDH1 O75874 1/20 0.33
▸ PAICS P22234 1/20 0.32
▸ KHK P50053 1/20 0.32
▸ MET P08581 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ WNT1 P04628 2/20 0.32
▸ NAMPT P43490 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
SCHEMBL16722442 0.91 BRD4 (0.49) BRD4GSK3BDYRK1APIM1WNT1
SCHEMBL16722587 0.91 BRD4 (0.49) BRD4GSK3BDYRK1APIM1WNT1
SCHEMBL16721302 0.89 BRD4 (0.56) BRD4GSK3BDYRK1AKHKPIM1
SCHEMBL16721425 0.89 BRD4 (0.56) BRD4GSK3BDYRK1AKHKPIM1
SCHEMBL16721895 0.89 BRD4 (0.53) BRD4GSK3BDYRK1AIDH1PIM1
SCHEMBL16722443 0.89 BRD4 (0.53) BRD4GSK3BDYRK1AIDH1PIM1
SCHEMBL18042697 0.87 BRD4 (0.47) BRD4PAICSNAMPT
SCHEMBL21638586 0.84 BRD4 (0.56) BRD4GSK3BDYRK1APAICSMET
SCHEMBL21638456 0.83 BRD4 (0.49) BRD4IDH1NAMPT
SCHEMBL21638680 0.82 BRD4 (0.48) BRD4IDH1NAMPT

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
Send feedback