SCHEMBL20867147

SCHEMBL20867147

Cc1cc(C(F)(F)F)cnc1-c1nnc(N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)o1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.50
CCKAR P32238 11/20 0.50
NOTCH1 P46531 2/20 0.41
NOTCH3 Q9UM47 1/20 0.41
RBPJ Q06330 1/20 0.40

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
SCHEMBL22460062 0.91 CCKBR (0.47) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL22459978 0.91 CCKBR (0.47) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL20098335 0.91 CCKBR (0.48) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL24612339 0.91 CCKBR (0.49) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL21117122 0.91 CCKBR (0.49) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL22440650 0.91 CCKBR (0.49) CCKBRCCKARNOTCH1NOTCH3
SCHEMBL20098621 0.91 CCKBR (0.47) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL24612288 0.89 CCKBR (0.47) CCKBRCCKARNOTCH1NOTCH3
SCHEMBL22459812 0.89 CCKBR (0.47) CCKBRCCKAR
SCHEMBL24612346 0.89 CCKBR (0.49) CCKBRCCKARNOTCH1NOTCH3

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
WO-2019067864-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-04-04 WO disclosed