SCHEMBL23013233

SCHEMBL23013233

Cc1ccc(F)c(-c2nn3cccnc3c2C(=O)N[C@H]2N=C(c3ccccc3)c3cccc(F)c3NC2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 13/20 0.43
▸ CCKAR P32238 10/20 0.43
▸ NOTCH1 P46531 5/20 0.42
▸ RBPJ Q06330 3/20 0.42
▸ NOTCH3 Q9UM47 2/20 0.39

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
SCHEMBL29692162 1.00 CCKBR (0.43) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL29939406 0.93 CCKBR (0.46) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL29692200 0.93 CCKBR (0.45) CCKBRCCKARNOTCH1RBPJ
SCHEMBL23013106 0.93 CCKBR (0.45) CCKBRCCKARNOTCH1RBPJ
SCHEMBL28749206 0.91 NOTCH1 (0.41) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL29692163 0.91 NOTCH1 (0.41) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL23013301 0.91 CCKBR (0.52) CCKBRCCKAR
SCHEMBL29692231 0.91 CCKBR (0.52) CCKBRCCKAR
SCHEMBL29939424 0.91 CCKBR (0.45) CCKBRCCKARNOTCH1RBPJ
SCHEMBL23013257 0.91 CCKBR (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555604-A Pharmaceutical compounds 瑞威有限公司 2022-05-27 — — CN claimed
EP-4017856-A1 PHARMACEUTICAL COMPOUNDS Reviral Limited (GB) 2022-06-29 — — EP disclosed
WO-2021032992-A1 PHARMACEUTICAL COMPOUNDS ReViral Limited (GB) 2021-02-25 — — WO disclosed
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