SCHEMBL24611972

SCHEMBL24611972

CC1CN(c2cc(C(F)(F)F)cnc2C(=N)OC(=N)NC2N=C(c3ccccc3)c3ccccc3NC2=O)CCO1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 14/20 0.50
▸ CCKAR P32238 6/20 0.50
▸ CCKBR P32239 3/20 0.46
▸ NOTCH1 P46531 2/20 0.41
▸ RBPJ Q06330 1/20 0.41
▸ NOTCH3 Q9UM47 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
SCHEMBL20866799 1.00 CBLB (0.50) CBLBCCKARCCKBRNOTCH1RBPJ
SCHEMBL20867088 0.91 CCKAR (0.50) CBLBCCKARCCKBR
SCHEMBL20867031 0.91 CCKAR (0.50) CBLBCCKARCCKBR
SCHEMBL20867183 0.89 CBLB (0.49) CBLBCCKARCCKBR
SCHEMBL24612196 0.88 CCKBR (0.50) CBLBCCKARCCKBRNOTCH1RBPJ
SCHEMBL20866768 0.88 CCKBR (0.50) CBLBCCKARCCKBRNOTCH1RBPJ
SCHEMBL20867063 0.87 CCKBR (0.48) CBLBCCKARCCKBRNOTCH1RBPJ
SCHEMBL20867294 0.87 CCKBR (0.49) CBLBCCKARCCKBRNOTCH1RBPJ
SCHEMBL20867269 0.87 CCKBR (0.51) CBLBCCKARCCKBRNOTCH1RBPJ
SCHEMBL20866910 0.86 CCKAR (0.49) CBLBCCKARCCKBRNOTCH1RBPJ

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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