SCHEMBL30526068

SCHEMBL30526068

CN1C(=O)c2ccccc2N(S(C)(=O)=O)c2nc(Cl)ncc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCLK1 O15075 7/20 0.52
▸ MAPK7 Q13164 8/20 0.46
▸ LRRK2 Q5S007 8/20 0.46
▸ PIK3CD O00329 3/20 0.46
▸ AURKA O14965 3/20 0.46
▸ PIK3C2G O75747 3/20 0.46
▸ PIK3CG P48736 3/20 0.46
▸ AURKB Q96GD4 3/20 0.46
▸ BRD4 O60885 7/20 0.44
▸ TTR P02766 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ BRDT Q58F21 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ NUAK1 O60285 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ GAK O14976 1/20 0.36
▸ TNK2 Q07912 1/20 0.36
▸ TNK1 Q13470 1/20 0.36
▸ DCLK2 Q8N568 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
SCHEMBL25357908 1.00 DCLK1 (0.52) DCLK1MAPK7LRRK2PIK3CDAURKA
SCHEMBL10098691 0.84 MAPK7 (0.56) DCLK1MAPK7LRRK2PIK3CDAURKA
SCHEMBL29582820 0.80 DCLK1 (0.48) DCLK1MAPK7LRRK2PIK3CDAURKA
SCHEMBL17059738 0.79 DCLK1 (0.45) DCLK1MAPK7LRRK2PIK3CDAURKA
SCHEMBL23144761 0.75 MAPK7 (0.53) DCLK1MAPK7LRRK2PIK3CDAURKA
SCHEMBL16065726 0.75 MAPK7 (0.54) DCLK1MAPK7LRRK2PIK3CDAURKA
SCHEMBL20094145 0.72 LRRK2 (0.50) DCLK1MAPK7LRRK2PIK3CDAURKA
SCHEMBL20094162 0.72 MAPK7 (0.51) DCLK1MAPK7LRRK2PIK3CDAURKA
SCHEMBL10098766 0.71 DCLK1 (0.58) DCLK1MAPK7LRRK2PIK3CDAURKA
SCHEMBL16065742 0.71 MAPK7 (0.45) DCLK1MAPK7LRRK2PIK3CDAURKA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4479400-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR TREATING A ERK5-MEDIATED DISEASE Cancer Research Technology Limited (GB) 2024-12-25 — — EP disclosed
CN-119053604-A Heterocyclic compounds for the treatment of ERK5 mediated diseases 癌症研究技术有限公司 2024-11-29 — — CN disclosed
WO-2023156791-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR TREATING A ERK5-MEDIATED DISEASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-08-24 — — WO disclosed
Send feedback