SCHEMBL29339015

SCHEMBL29339015

COC(=O)CCN(C)Cc1ccc(-c2nc(Cl)ncc2Cl)cc1C=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.38
▸ PDK1 Q15118 10/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PDK2 Q15119 2/20 0.34
▸ PDK3 Q15120 2/20 0.34
▸ PDK4 Q16654 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ LTA4H P09960 3/20 0.33

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
SCHEMBL29338952 0.83 BTK (0.37) BTKPDK1MAPK1
SCHEMBL29340146 0.78 BTK (0.36) BTKPDK1
SCHEMBL29339151 0.77 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL29340129 0.74 MAPK1 (0.40) MAPK1
SCHEMBL29340337 0.70 BTK (0.43) BTKPDK1ALDH1A1MAPTMEN1
SCHEMBL29339899 0.68 BTK (0.32) BTKMAPK1
SCHEMBL29339013 0.67 ROCK1 (0.37) MEN1KMT2ALTA4H
SCHEMBL18765563 0.67 BTK (0.42) BTKPDK1MAPTKDM4EPDK2
SCHEMBL18765934 0.67 MAPK1 (0.58) MAPK1
SCHEMBL18794084 0.66 HIF1A (0.39) BTKPDK1MAPK1

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-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 — — EP disclosed
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