SCHEMBL21083451

SCHEMBL21083451

Cc1cccc(-c2ccccc2-c2ccc3ncc(/C(N)=N/N)n3c2)n1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.80

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
SCHEMBL21083448 0.89 TGFBR1 (1.00) TGFBR1
SCHEMBL21083417 0.88 TGFBR1 (1.00) TGFBR1
SCHEMBL21083429 0.84 TGFBR1 (1.00) TGFBR1
SCHEMBL21084317 0.84 TGFBR1 (0.79) TGFBR1
SCHEMBL21083470 0.82 TGFBR1 (1.00) TGFBR1
SCHEMBL21084098 0.82 TGFBR1 (0.78) TGFBR1
SCHEMBL21083468 0.82 TGFBR1 (1.00) TGFBR1
SCHEMBL21083469 0.81 TGFBR1 (1.00) TGFBR1
SCHEMBL21084224 0.81 TGFBR1 (1.00) TGFBR1
SCHEMBL21084243 0.81 TGFBR1 (0.77) 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
EP-3492461-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF Shanghai Yingli Pharmaceutical Co. Ltd. (CN) 2019-06-05 EP disclosed