SCHEMBL8314769

SCHEMBL8314769

Cc1nnc2n1-c1ccccc1C(c1ccccc1)=NN2Cc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.46
BRD2 P25440 7/20 0.42
BRD3 Q15059 7/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP19A1 P11511 2/20 0.41
MAPK1 P28482 1/20 0.40
GABRA1 P14867 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL8318636 0.93 BRD4 (0.47) BRD4BRD2BRD3CYP11B1CYP11B2
SCHEMBL8321315 0.92 BRD4 (0.39) BRD4BRD2BRD3CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8319535 0.91 BRD4 (0.38) BRD4BRD2BRD3CYP11B1CYP11B2
SCHEMBL8321540 0.90 BRD4 (0.43) BRD4BRD2BRD3CYP11B1CYP11B2
SCHEMBL8317491 0.89 HDAC3 (0.43) BRD4BRD2BRD3
SCHEMBL8319774 0.86 AR (0.41) BRD4BRD2BRD3CYP11B1CYP11B2
SCHEMBL8320433 0.86 BRS3 (0.39) BRD4BRD2BRD3CYP11B1CYP11B2
SCHEMBL8316213 0.85 BRD4 (0.55) BRD4BRD2BRD3GABRA1GABRA5
SCHEMBL8318331 0.85 BRD4 (0.49) BRD4BRD2BRD3
SCHEMBL8319404 0.84 BRD4 (0.47) BRD4BRD2BRD3CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP claimed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed