SCHEMBL6065137

SCHEMBL6065137

NC1CNc2ccccc2C(c2ccccc2)=N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.48
CHRM1 P11229 2/20 0.48
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38

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
SCHEMBL27675515 1.00 CCKBR (0.48) CCKBRCHRM1GABRA1GABRG2GABRB3
SCHEMBL29695279 1.00 CCKBR (0.48) CCKBRCHRM1GABRA1GABRG2GABRB3
SCHEMBL28295474 0.82 CHRM1 (0.56) CCKBRCHRM1GABRA1GABRG2GABRB3
SCHEMBL28297188 0.78 CHRM1 (0.49) CCKBRCHRM1GABRA1GABRG2GABRB3
SCHEMBL15622730 0.78 MAPT (0.37) CCKBRCHRM1GABRA1GABRG2GABRB3
SCHEMBL28749219 0.78 NOTCH1 (0.35) CCKBRCHRM1GABRA1GABRG2GABRB3
SCHEMBL29695118 0.78 NOTCH1 (0.35) CCKBRCHRM1GABRA1GABRG2GABRB3
SCHEMBL20098126 0.74 CCKBR (0.46) CCKBRCHRM1GABRA1GABRG2GABRB3
SCHEMBL11278577 0.72 GABRA1 (0.47) CCKBRCHRM1GABRA1GABRG2GABRB3
SCHEMBL11278574 0.72 GABRA1 (0.47) CCKBRCHRM1GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116075515-A Benzodiazepine derivatives useful for the treatment of respiratory syncytial virus infection 辉瑞大药厂 2023-05-05 CN disclosed
CN-116075516-A Benzodiazepine derivatives useful for the treatment of respiratory syncytial virus infection 辉瑞大药厂 2023-05-05 CN disclosed
CN-114787155-A Pharmaceutical compounds 瑞威有限公司 2022-07-22 CN disclosed
CN-114761397-A Benzodiazepine derivatives for the treatment of Respiratory Syncytial Virus (RSV) infection 瑞威有限公司 2022-07-15 CN disclosed
CN-114555604-A Pharmaceutical compounds 瑞威有限公司 2022-05-27 CN disclosed
WO-2019067864-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-04-04 WO disclosed
CN-104968648-A Prodrugs of 1, 4-benzodiazepinone compounds BRISTOL MYERS SQUIBB CO 2015-10-07 CN disclosed
CN-103717576-A Bis(fluoroalkyl)-1,4-benzodiazepinone compounds BRISTOL MYERS SQUIBB CO 2014-04-09 CN disclosed
CN-1933841-A Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein ARROW THERAPEUTICS LTD (GB) 2007-03-21 CN disclosed
EP-1727551-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 EP disclosed
WO-2005089771-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO disclosed
CN-1041941-A The preparation method of benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1990-05-09 CN disclosed