SCHEMBL7320239

SCHEMBL7320239

N#Cc1ccc2c(c1)C(c1ccccc1F)=NCC(=O)N2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.69
GABRA5 P31644 9/20 0.69
GABRA3 P34903 9/20 0.69
GABRA2 P47869 8/20 0.69
GABRB2 P47870 6/20 0.69
LMNA P02545 1/20 0.69
CDK1 P06493 2/20 0.56
CCNE2 O96020 1/20 0.56
EGFR P00533 1/20 0.56
CDK4 P11802 1/20 0.56
SRC P12931 1/20 0.56
CCND1 P24385 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
KDR P35968 1/20 0.56
CCNA1 P78396 1/20 0.56
PTK2 Q05397 1/20 0.56
GABRG2 P18507 6/20 0.52
GABRB3 P28472 6/20 0.52
GABRP O00591 2/20 0.52

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
SCHEMBL2872581 0.88 GABRA1 (0.69) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL8933625 0.86 CHRM1 (0.69) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7721415 0.84 GABRA1 (0.64) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11249580 0.84 PDE4D (0.67) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL13523875 0.83 GABRA1 (0.62) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL14187005 0.83 GABRA1 (0.62) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL8547651 0.82 GABRA1 (0.73) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL2615274 0.81 GABRA1 (0.73) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL638723 0.81 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7318175 0.81 GABRA1 (0.73) GABRA1GABRA5GABRA3GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996023790-A1 ACETYLIMIDAZOBENZODIAZEPINES F. HOFFMANN-LA ROCHE AG (CH) 1996-08-08 WO disclosed
US-4440685-A MUSCLE RELAXANTS, SEDATIVES, ANTICONVULSANTS HOFFMANN-LA ROCHE INC. (US) 1984-04-03 US disclosed
US-4425272-A ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1984-01-10 US disclosed
US-4401597-A INTERMEDIATES FOR ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVE AND ANXIOLYTICS HOFFMANN-LA ROCHE INC. (US) 1983-08-30 US disclosed
US-4390471-A INTERMEDIATES FOR IMIDOBENZODIAZEPINE AND ANALOGS HOFFMANN-LA ROCHE INC. (US) 1983-06-28 US disclosed
US-4377523-A Imidazodiazepines and processes therefor HOFFMANN-LA ROCHE INC. (US) 1983-03-22 US disclosed
US-4376075-A REACTION OF AN AMINODERIVATIVE THEREOF WITH AN ALDEHYDE HOFFMANN-LA ROCHE INC. (US) 1983-03-08 US disclosed
US-4376074-A ANTICONVULSANTS, MUSCLE RELAXANTS AND SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-03-08 US disclosed
US-4371468-A ANTICONVULSANTS, MUSCLE RELAXANTS, AND SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-02-01 US disclosed
US-4368157-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 US disclosed
US-4368158-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 US disclosed
US-4368159-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 US disclosed
US-4349476-A IMIDAZO/1,5-A//1,4) BENZO-, THIENO-, OR PYRAZOLODIAZEPINES FROM DERIVATIVES OF BENZO-, THIENO- OR PYRAZOLODIAZEPINE HOFFMANN-LA ROCHE INC. (US) 1982-09-14 US disclosed
US-4349477-A IMIPAZO/1,5-A//1,4/BENZO-, THIENO- OR PYRAZOLODIAZEPINES FROM 2-DIMORPHOLINOPHOSPHONATES OF BENZO-, THIENO- OR PYRAZOLODIAZEPINES HOFFMANN-LA ROCHE INC. (US) 1982-09-14 US disclosed
US-4349475-A IMIDAZO/1,5-A//1,4/BENZO-, THIENO-, OR PYRAZOLODIAZEPINES FROM DERIVATIVES OF BENZOTHIENO-OR PYRAZOLODIAZEPINES HOFFMANN-LA ROCHE INC. (US) 1982-09-14 US disclosed
US-4347365-A ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1982-08-31 US disclosed
US-4347364-A INTERMEDIATES THEREFOR HOFFMANN-LA ROCHE INC. (US) 1982-08-31 US disclosed
US-4307237-A ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1981-12-22 US disclosed
US-4280957-A Imidazodiazepines and processes therefor HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US disclosed