SCHEMBL212317

SCHEMBL212317

CN(C)C=CC(=O)c1cnccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.53
KDM4E B2RXH2 3/20 0.48
NAPRT Q6XQN6 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
RECQL P46063 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
TSHR P16473 1/20 0.47
MC4R P32245 1/20 0.47
ADRA1A P35348 1/20 0.47
MC3R P41968 1/20 0.47
LATS1 O95835 1/20 0.45
MAPT P10636 7/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
P4HB P07237 1/20 0.44
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.41

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
SCHEMBL4262480 1.00 HTT (0.53) HTTKDM4ENAPRTHCAR2RECQL
SCHEMBL29102010 0.80 KDM4E (0.53) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL11259148 0.76 KDM4E (0.48) HTTKDM4ENAPRTHCAR2ADORA3
SCHEMBL11257339 0.76 KDM4E (0.48) HTTKDM4ENAPRTHCAR2ADORA3
SCHEMBL1425 0.76 RECQL (0.61) HTTKDM4ERECQLMAPTRAB9A
SCHEMBL15709976 0.76 RECQL (0.61) HTTKDM4ERECQLMAPTRAB9A
SCHEMBL31276286 0.76 RECQL (0.61) HTTKDM4ERECQLMAPTRAB9A
SCHEMBL1424 0.76 RECQL (0.61) HTTKDM4ERECQLMAPTRAB9A
SCHEMBL4736050 0.75 HTT (0.56) HTTRECQLLATS1MAPTRAB9A
SCHEMBL30269691 0.75 HTT (0.65) HTTRECQLMAPTRAB9AALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111039932-B High-yield synthesis method of radatinib 安徽峆一药业股份有限公司 2023-09-12 CN claimed
CN-111039932-A High-yield synthesis method of ladostinib 安徽峆一药业股份有限公司 2020-04-21 CN claimed
CN-111039932-B High-yield synthesis method of radatinib 安徽峆一药业股份有限公司 2023-09-12 CN disclosed
CN-111039932-B High-yield synthesis method of radatinib 安徽峆一药业股份有限公司 2023-09-12 CN disclosed
CN-111039932-A High-yield synthesis method of ladostinib 安徽峆一药业股份有限公司 2020-04-21 CN disclosed
CN-111039932-A High-yield synthesis method of ladostinib 安徽峆一药业股份有限公司 2020-04-21 CN disclosed
EP-1922309-B1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM CO LTD (KR) 2014-05-21 EP disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
EP-1533304-B1 AMIDE DERIVATIVE NIPPON SHINYAKU CO LTD (JP) 2009-11-04 EP disclosed
US-7501424-B2 N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof IL-YANG PHARM. CO., LTD. (KR) 2009-03-10 US disclosed
US-7494997-B2 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2009-02-24 US disclosed
EP-1533304-A1 AMIDE DERIVATIVE Nippon Shinyaku Co., Ltd. (JP) 2005-05-25 EP disclosed
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 WO disclosed
US-5210193-A Bactericide AMERICAN CYANAMID COMPANY (US) 1993-05-11 US disclosed
US-4940710-A 7-(substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-10 US disclosed
EP-0230053-A2 7-(Substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1987-07-29 EP disclosed