SCHEMBL20178956

SCHEMBL20178956

CCOC(=O)c1cnn2ccc(-c3cccnc3-c3ccc(F)c(C)n3)nc12.Cc1cccc(-c2ncccc2-c2ccn3ncc(C(=O)NC4COC4)c3n2)n1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.81

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
SCHEMBL20178961 0.92 TGFBR1 (0.77) TGFBR1
SCHEMBL18005166 0.90 TGFBR1 (1.00) TGFBR1
SCHEMBL18005146 0.88 TGFBR1 (1.00) TGFBR1
SCHEMBL18005228 0.85 TGFBR1 (1.00) TGFBR1
SCHEMBL18005153 0.83 TGFBR1 (1.00) TGFBR1
SCHEMBL18005211 0.83 TGFBR1 (0.79) TGFBR1
SCHEMBL18005411 0.81 TGFBR1 (1.00) TGFBR1
SCHEMBL18005322 0.77 TGFBR1 (0.69) TGFBR1
SCHEMBL20178958 0.76 TGFBR1 (0.77) TGFBR1
SCHEMBL18005286 0.76 TGFBR1 (1.00) TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981944-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC (US) 2018-05-29 US claimed