SCHEMBL29692154

SCHEMBL29692154

N[C@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 6/20 0.45
RBPJ Q06330 3/20 0.45
GABRA1 P14867 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
NOTCH3 Q9UM47 3/20 0.39
CCKBR P32239 3/20 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
SCHEMBL15622047 1.00 NOTCH1 (0.45) NOTCH1RBPJGABRA1GABRA5GABRA3
SCHEMBL22455443 1.00 NOTCH1 (0.45) NOTCH1RBPJGABRA1GABRA5GABRA3
SCHEMBL15622200 1.00 NOTCH1 (0.45) NOTCH1RBPJGABRA1GABRA5GABRA3
SCHEMBL17030708 0.90 NOTCH1 (0.42) NOTCH1RBPJGABRA1GABRA5GABRA3
SCHEMBL17030683 0.88 NOTCH1 (0.40) NOTCH1RBPJGABRA1GABRA5GABRA3
SCHEMBL17030706 0.86 NOTCH1 (0.43) NOTCH1RBPJNOTCH3CCKBRCCKAR
SCHEMBL15622296 0.86 NOTCH1 (0.47) NOTCH1RBPJGABRA1GABRA5GABRA3
SCHEMBL17019559 0.86 NOTCH1 (0.47) NOTCH1RBPJGABRA1GABRA5GABRA3
SCHEMBL15623736 0.84 NOTCH1 (0.46) NOTCH1RBPJGABRA1GABRA5GABRA3
SCHEMBL17030690 0.84 GABRA1 (0.45) NOTCH1GABRA1GABRA5GABRA3GABRA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114787155-B Pharmaceutical compounds 辉瑞公司 2025-02-28 CN disclosed
CN-114555604-B Pharmaceutical compounds 辉瑞公司 2024-11-15 CN disclosed
CN-114761397-B Benzodiazepine derivatives for the treatment of Respiratory Syncytial Virus (RSV) infection 辉瑞公司 2024-11-05 CN disclosed
EP-4051675-A1 PHARMACEUTICAL COMPOUNDS Reviral Limited (GB) 2022-09-07 EP disclosed
WO-2022180397-A1 BENZODIAZEPINES FOR TREATING OR PREVENTING RESPIRATORY SYNCYTIAL VIRUS INFECTION ReViral Limited (GB) 2022-09-01 WO disclosed
EP-4017856-A1 PHARMACEUTICAL COMPOUNDS Reviral Limited (GB) 2022-06-29 EP disclosed