SCHEMBL5266895

SCHEMBL5266895

CCCCNc1ccnn1-c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
SOAT2 O75908 2/20 0.42
SOAT1 P35610 2/20 0.42
RAB9A P51151 8/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 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
SCHEMBL27678180 0.87 OXTR (0.44) CYP2C9CYP2C19SOAT2SOAT1RAB9A
SCHEMBL27676108 0.86 SOAT2 (0.52) CYP2C9CYP2C19SOAT2SOAT1RAB9A
SCHEMBL28053394 0.84 TP53 (0.44) CYP2C19SOAT2SOAT1RAB9ANPC1
SCHEMBL27742973 0.83 KDM4E (0.39) SOAT2SOAT1RAB9ANPC1SMN1; SMN2
SCHEMBL27728421 0.82 TLR7 (0.41) SOAT2SOAT1RAB9ANPC1SMN1; SMN2
SCHEMBL9453146 0.82 SOAT1 (0.58) CYP2C9CYP2C19SOAT2SOAT1RAB9A
SCHEMBL28766878 0.81 HTT (0.46) SMN1; SMN2ALDH1A1KDM4EMEN1ALOX12
SCHEMBL11086699 0.81 SOAT1 (0.60) CYP2C9CYP2C19SOAT2SOAT1RAB9A
SCHEMBL27707912 0.80 HPGD (0.55) CYP2C9CYP2C19SOAT2SOAT1SMN1; SMN2
SCHEMBL2247863 0.79 CYP2D6 (0.41) CYP2C9CYP2C19SMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101759645-B P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC 2014-06-25 CN disclosed
CN-103483338-A Triazolopyridine derivatives as p38 map kinase inhibitors CHIESI FARMA SPA 2014-01-01 CN disclosed
CN-102395586-A Triazolopyridine Derivatives as P38MAP Kinase Inhibitors THERAPEUTICS INFLAMMATION LTD 2012-03-28 CN disclosed
CN-101759645-A P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC 2010-06-30 CN disclosed
CN-100579976-C p38 inhibitors and methods of their use ARRAY BIOPHARMA INC 2010-01-13 CN disclosed
CN-101296922-A Kinase inhibitors LILLY CO ELI (US) 2008-10-29 CN disclosed
CN-101098868-A Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA SA (FR) 2008-01-02 CN disclosed
EP-1841762-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-10 EP disclosed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 WO disclosed
CN-1784396-A p38 inhibitors and methods of their use ARRAY BIOPHARMA INC (US) 2006-06-07 CN disclosed