SCHEMBL8311751

SCHEMBL8311751

Cc1nnc2n1-c1ccccc1NC2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.72
BRPF1 P55201 1/20 0.44
PTAFR P25105 1/20 0.41
HSD17B3 P37058 1/20 0.38
CYP11B2 P19099 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
GABRA1 P14867 4/20 0.36
GABRA5 P31644 4/20 0.36
GABRA2 P47869 4/20 0.36
GABRB2 P47870 3/20 0.36
GABRA3 P34903 3/20 0.36
OPRK1 P41145 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
GABRG2 P18507 1/20 0.36

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
SCHEMBL7338366 0.84 BRD4 (1.00) BRD4BRPF1PTAFRCYP11B2MEN1
SCHEMBL8313986 0.80 BRD4 (0.48) BRD4BRPF1CYP11B2
SCHEMBL11397265 0.80 BRD4 (0.51) BRD4PTAFREDNRBEDNRAGABRA1
SCHEMBL23658751 0.79 BRD4 (0.47) BRD4PTAFRCYP11B2GABRA1GABRA5
SCHEMBL11401666 0.78 BRD4 (0.50) BRD4PTAFREDNRBEDNRAGABRA1
SCHEMBL8316695 0.77 BRD4 (0.46) BRD4BRPF1HSD17B3MEN1GAA
SCHEMBL13730257 0.76 BRD4 (0.58) BRD4PTAFRGAAEDNRBEDNRA
SCHEMBL8028802 0.75 BRD4 (0.50) BRD4PTAFRCYP11B2EDNRBEDNRA
SCHEMBL13730149 0.75 BRD4 (0.57) BRD4PTAFRGABRA1GABRA5GABRA2
SCHEMBL13729605 0.74 BRD4 (0.56) BRD4BRPF1MEN1GAAKMT2A

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-112771046-A Other substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2021-05-07 CN disclosed
CN-112673009-A Substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2021-04-16 CN disclosed
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5478823-A Antiinflammatory agents, antiallergens; tricyclic triazolo derivative TORAY INDUSTRIES, INC. (JP) 1995-12-26 US disclosed
EP-0617961-A1 EOSINOPHIL INFILTRATION INHIBITOR TORAY INDUSTRIES, INC. (JP) 1994-10-05 EP disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed