SCHEMBL7420019

SCHEMBL7420019

CNc1ccc(C2(C(=O)C3CCCC3)CC2)cc1N(C(=O)CN)c1ccc(C#N)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 3/20 0.34
ITK Q08881 8/20 0.33
CHEK2 O96017 2/20 0.31
PRKCG P05129 2/20 0.31
FLT3 P36888 2/20 0.31
CSNK1D P48730 2/20 0.31
RPS6KA3 P51812 2/20 0.31
DYRK1A Q13627 2/20 0.31
AURKB Q96GD4 2/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
AURKA O14965 1/20 0.31
MAP4K4 O95819 1/20 0.31
PHKG2 P15735 1/20 0.31
MARK3 P27448 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CLK2 P49760 1/20 0.31
GSK3B P49841 1/20 0.31
IRAK1 P51617 1/20 0.31
NEK4 P51957 1/20 0.31
CSNK1G2 P78368 1/20 0.31

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
SCHEMBL7413734 0.84 HSD11B1 (0.36) FASNKDM1A
SCHEMBL7414205 0.77 F2 (0.31) PGR
SCHEMBL27467406 0.75 FASN (0.40) FASNEPHX1
SCHEMBL7420016 0.73 ALDH1A1 (0.42) FASNPGREPHX1PAX8
SCHEMBL7412365 0.71 PRKCI (0.42)
SCHEMBL7410714 0.65 HCAR3 (0.47)
SCHEMBL7412218 0.63 ITK (0.41) ITKCHEK2PRKCGFLT3CSNK1D
SCHEMBL7412219 0.63 F2 (0.55) ITKCHEK2PRKCGFLT3CSNK1D
SCHEMBL22312043 0.59 KMT2A (0.52) GSK3BPGR
Hydrochloric Acid SCHEMBL29472307 0.58 KMT2A (0.51) ITKGSK3BPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1152866-C Benzimidazoles, production thereof and use thereof medicaments ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-06-09 CN disclosed
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
CN-1308614-A Benzimidazoles, production thereof and use thereof medicaments BOEHRINGER INGELHEIM PHAMA KG (DE) 2001-08-15 CN disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed