SCHEMBL260375

SCHEMBL260375

C=CC1(OCc2ccccc2)C(c2coc(C#N)c2N)OC(COCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL259574 0.85 TACR2 (0.32)
SCHEMBL3363398 0.84 NT5E (0.32)
SCHEMBL261244 0.84 NT5E (0.32)
SCHEMBL260182 0.83 PDE4D (0.32)
SCHEMBL259798 0.75 HTR1A (0.41)
SCHEMBL259598 0.72 SSTR1 (0.44)
SCHEMBL13843316 0.71 ALOX15 (0.34)
SCHEMBL260030 0.70 NT5E (0.35)
SCHEMBL260539 0.69 NT5E (0.32)
SCHEMBL259231 0.68 HTR1A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8133870-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed
US-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-12-04 US disclosed
US-7429571-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
EP-1814561-A2 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES Biocryst Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines WILMINGTON TRUST, NATIONAL ASSOCIATION 2006-07-27 US disclosed
WO-2006050161-A2 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2006-05-11 WO disclosed