SCHEMBL24612150

SCHEMBL24612150

COCC1(Nc2cc(C(F)(F)F)cnc2C(=N)OC(=N)NC2N=C(c3ccccc3)c3ccccc3NC2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 12/20 0.49
▸ CCKAR P32238 10/20 0.49
▸ NOTCH1 P46531 4/20 0.41
▸ RBPJ Q06330 2/20 0.41
▸ NOTCH3 Q9UM47 2/20 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
SCHEMBL20866842 0.89 CCKBR (0.54) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL24611978 0.89 CCKBR (0.54) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL20866811 0.88 CCKBR (0.48) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL20867299 0.88 CCKBR (0.52) CCKBRCCKARNOTCH1RBPJ
SCHEMBL20867308 0.87 CCKBR (0.49) CCKBRCCKARNOTCH1RBPJ
SCHEMBL24612380 0.87 CCKBR (0.49) CCKBRCCKARNOTCH1RBPJ
SCHEMBL20866815 0.86 CCKBR (0.49) CCKBRCCKARNOTCH1RBPJ
SCHEMBL24611916 0.86 CCKBR (0.51) CCKBRCCKARNOTCH1RBPJ
SCHEMBL24612270 0.86 CCKBR (0.51) CCKBRCCKARNOTCH1RBPJ
SCHEMBL24612021 0.85 CCKBR (0.50) CCKBRCCKARNOTCH1RBPJ

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-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 — — EP disclosed
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