SCHEMBL6975950

SCHEMBL6975950

N#Cc1ccc(Br)c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
APAF1 O14727 1/20 0.46
TDP2 O95551 1/20 0.46
MAPT P10636 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
LRRK2 Q5S007 1/20 0.45
HSP90AA1 P07900 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TLR8 Q9NR97 1/20 0.39
SLC22A12 Q96S37 2/20 0.39

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
SCHEMBL6495336 0.86 KMT2A (0.54) MEN1KMT2AALDH1A1APAF1TDP2
SCHEMBL29871808 0.86 KMT2A (0.54) MEN1KMT2AALDH1A1APAF1TDP2
SCHEMBL31453777 0.82 KMT2A (0.46) MEN1KMT2AALDH1A1APAF1TDP2
SCHEMBL3525315 0.79 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTLRRK2
SCHEMBL1187421 0.79 HSP90AA1 (0.61) MEN1KMT2AALDH1A1MAPTHSP90AA1
SCHEMBL13977558 0.79 PSMD14 (0.56) LRRK2HSP90AA1HTTTLR8SLC22A12
SCHEMBL20554648 0.79 KDM4E (0.47) LRRK2HSP90AA1KDM4ETLR8SLC22A12
SCHEMBL11973624 0.79 MEN1 (0.54) MEN1KMT2AALDH1A1APAF1TDP2
SCHEMBL196848 0.78 KMT2A (0.68) MEN1KMT2AALDH1A1APAF1TDP2
SCHEMBL3530022 0.78 LRRK2 (0.41) LRRK2HSP90AA1KDM4EHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623369-B1 NOVEL MORPHOLINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 EP disclosed
CN-113039185-A 5- [6- [ [3- (4,5,6, 7-tetrahydropyrazolo [4,3-C ] pyridin-1-yl) azetidin-1-yl ] methyl ] morpholin-4-yl ] quinoline-8-carbonitrile derivatives and analogous compounds as TLR7-9 antagonists for the treatment of systemic lupus erythematosus 豪夫迈·罗氏有限公司 2021-06-25 CN disclosed
CN-112752755-A Heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-05-04 CN disclosed
CN-112673003-A Novel pyrrolidine amine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-04-16 CN disclosed
CN-112313228-A Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-02-02 CN disclosed
EP-3623369-A1 NOVEL MORPHOLINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2020-03-18 EP disclosed
EP-0931070-B1 HETAROYL CYCLOHEXANEDIONE DERIVATIVES WITH HERBICIDAL EFFECT BASF AG (DE) 2003-03-19 EP disclosed
US-6479436-B1 SUCH AS 2-(8-BROMOQUINOLIN-5-YL)CARBONYL-1,3-CYCLOHEXANEDIONE BASF AKTIENGESELLSCHAFT (DE) 2002-11-12 US disclosed
US-6262074-B1 4-Hetaroylpyrazol derivatives and the use thereof as herbicides BASF AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed
CN-1235600-A 4-hetaroylpyrazol derivatives BASF AG (DE) 1999-11-17 CN disclosed
EP-0931070-A1 HETAROYL CYCLOHEXANEDIONE DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1999-07-28 EP disclosed
EP-0929546-A1 4-HETAROYLPYRAZOL DERIVATIVES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998012180-A1 HETAROYL CYCLOHEXANEDIONE DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed
WO-1998012192-A1 4-HETAROYLPYRAZOL DERIVATIVES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed