SCHEMBL2744580

SCHEMBL2744580

C1=C(c2nc3cscc3nc2C2=CCCC2)CCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
GRM2 Q14416 1/20 0.31
PSMB5 P28074 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
PSMB1 P20618 1/20 0.30

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
SCHEMBL2744962 0.94 JAK2 (0.37) PTGER1JAK2JAK1JAK3PSMB5
SCHEMBL2744775 0.73
SCHEMBL2745183 0.72 PDGFRB (0.32) PDGFRBPDGFRA
SCHEMBL2744786 0.72 PSMB5 (0.34) GRM2PSMB5PSMB1
SCHEMBL2745351 0.68
SCHEMBL7778748 0.67 PSMB5 (0.34) JAK2JAK1JAK3PSMB5TDP1
SCHEMBL604266 0.67 TYMP (0.40) PDGFRBPDGFRAJAK2JAK1JAK3
SCHEMBL15048839 0.67 TYMP (0.40) PDGFRBPDGFRAJAK2JAK1JAK3
SCHEMBL2744834 0.66 PSMB5 (0.40) PSMB5TDP1PSMB1
SCHEMBL1109730 0.62 TYMP (0.41) JAK2JAK1JAK3PSMB5TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7321012-B2 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom THE UNIVERSITY OF CONNECTICUT (US) 2008-01-22 US claimed
WO-2005014693-A1 METHOD OF CROSSLINKING INTRINSICALLY CONDUCTIVE POLYMERS OR INTRINSICALLY CONDUCTIVE POLYMER PRECURSORS AND THE ARTICLES OBTAINED THEREFROM UNIVERSITY OF CONNECTICUT (US) 2005-02-17 WO claimed
US-20040242792-A1 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom CONNECTICUT, THE UNIVERSITY OF 2004-12-02 US claimed
US-20120196078-A1 CONJUGATED POLYMER FIBER, PREPARATION AND USE THEREOF SOTZING GREGORY A (US) 2012-08-02 US disclosed
US-8178629-B2 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT (US) 2012-05-15 US disclosed
US-7321012-B2 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom THE UNIVERSITY OF CONNECTICUT (US) 2008-01-22 US disclosed
US-20070089845-A1 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT 2007-04-26 US disclosed
US-20040242792-A1 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom CONNECTICUT, THE UNIVERSITY OF 2004-12-02 US disclosed
US-6242561-B1 USED AS SEMICONDUCTORS; ELECTROCHROMIC AND ANTISTATIC PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 2001-06-05 US disclosed