SCHEMBL23013616

SCHEMBL23013616

Cc1cnc2c(C(=O)N[C@H]3N=C(c4ccccc4)c4cccc(F)c4NC3=O)c(-c3ccccc3F)nn2c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOTCH1 P46531 4/20 0.44
▸ RBPJ Q06330 3/20 0.44
▸ CCKBR P32239 15/20 0.44
▸ CCKAR P32238 11/20 0.44
▸ NOTCH3 Q9UM47 1/20 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
SCHEMBL29692235 1.00 NOTCH1 (0.44) NOTCH1RBPJCCKBRCCKARNOTCH3
SCHEMBL29692196 0.92 CCKBR (0.54) CCKBRCCKAR
SCHEMBL28749202 0.92 CCKBR (0.54) CCKBRCCKAR
SCHEMBL23013160 0.89 CCKBR (0.43) CCKBRCCKAR
SCHEMBL29692200 0.87 CCKBR (0.45) NOTCH1RBPJCCKBRCCKAR
SCHEMBL23013106 0.87 CCKBR (0.45) NOTCH1RBPJCCKBRCCKAR
SCHEMBL30029552 0.86 NOTCH1 (0.45) NOTCH1RBPJCCKBRCCKARNOTCH3
SCHEMBL28749206 0.85 NOTCH1 (0.41) NOTCH1RBPJCCKBRCCKARNOTCH3
SCHEMBL29692163 0.85 NOTCH1 (0.41) NOTCH1RBPJCCKBRCCKARNOTCH3
SCHEMBL23013233 0.85 CCKBR (0.43) NOTCH1RBPJCCKBRCCKARNOTCH3

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