SCHEMBL20098752

SCHEMBL20098752

O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(-n3cccn3)cn2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.41
CCKAR P32238 11/20 0.41

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
SCHEMBL20098479 0.89 CCKBR (0.46) CCKBRCCKAR
SCHEMBL20098060 0.80 CCKBR (0.55) CCKBRCCKAR
SCHEMBL20098420 0.78 CCKBR (0.50) CCKBRCCKAR
SCHEMBL20098641 0.77 CCKBR (0.59) CCKBRCCKAR
SCHEMBL20098406 0.75 CCKBR (0.46) CCKBRCCKAR
SCHEMBL20098484 0.73 CCKBR (0.61) CCKBRCCKAR
SCHEMBL20098679 0.71 CBLB (0.53) CCKBRCCKAR
SCHEMBL20098522 0.71 CCKBR (0.51) CCKBRCCKAR
SCHEMBL20098577 0.70 CCKBR (0.43) CCKBRCCKAR
SCHEMBL21755244 0.70 CCKBR (0.43) CCKBRCCKAR

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-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed