SCHEMBL29692144

SCHEMBL29692144

O=C(N[C@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O)c1c(-c2cccc(F)c2F)nn2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 13/20 0.44
▸ CCKAR P32238 9/20 0.44
▸ NOTCH1 P46531 3/20 0.43
▸ RBPJ Q06330 2/20 0.43
▸ BDKRB1 P46663 1/20 0.40
▸ NOTCH3 Q9UM47 1/20 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
SCHEMBL23013405 1.00 CCKBR (0.44) CCKBRCCKARNOTCH1RBPJBDKRB1
SCHEMBL23023712 1.00 CCKBR (0.44) CCKBRCCKARNOTCH1RBPJBDKRB1
SCHEMBL29692200 0.95 CCKBR (0.45) CCKBRCCKARNOTCH1RBPJBDKRB1
SCHEMBL23013106 0.95 CCKBR (0.45) CCKBRCCKARNOTCH1RBPJBDKRB1
SCHEMBL29692236 0.94 CCKBR (0.46) CCKBRCCKARNOTCH1RBPJBDKRB1
SCHEMBL23013247 0.94 CCKBR (0.46) CCKBRCCKARNOTCH1RBPJBDKRB1
SCHEMBL29903324 0.93 CCKBR (0.43) CCKBRCCKARNOTCH1RBPJBDKRB1
SCHEMBL29692141 0.93 CCKBR (0.45) CCKBRCCKARNOTCH1RBPJBDKRB1
SCHEMBL28749173 0.93 CCKBR (0.45) CCKBRCCKARNOTCH1RBPJBDKRB1
SCHEMBL30286734 0.92 CCKBR (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555604-B Pharmaceutical compounds 辉瑞公司 2024-11-15 — — CN claimed
EP-4017856-A1 PHARMACEUTICAL COMPOUNDS Reviral Limited (GB) 2022-06-29 — — EP claimed
CN-114555604-B Pharmaceutical compounds 辉瑞公司 2024-11-15 — — CN disclosed
EP-4017856-A1 PHARMACEUTICAL COMPOUNDS Reviral Limited (GB) 2022-06-29 — — EP disclosed
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