SCHEMBL8317515

SCHEMBL8317515

COc1ccc(CN2N=C(c3ccc(Br)cc3)c3ccccc3-n3c(C)nnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.43
BRD2 P25440 2/20 0.43
BRD3 Q15059 2/20 0.43
OXTR P30559 2/20 0.39
AVPR2 P30518 1/20 0.39
AVPR1A P37288 1/20 0.39
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 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
SCHEMBL8319738 0.93 BRD4 (0.44) BRD4BRD2BRD3HDAC3HDAC4
SCHEMBL8318824 0.92 BRD4 (0.45) BRD4BRD2BRD3OXTRAVPR2
SCHEMBL8319404 0.92 BRD4 (0.47) BRD4BRD2BRD3OXTRAVPR2
SCHEMBL8320603 0.91 BRD4 (0.48) BRD4BRD2BRD3HTTLMNA
SCHEMBL8322984 0.87 BRD4 (0.51) BRD4BRD2BRD3MEN1KMT2A
SCHEMBL8318456 0.83 BRD4 (0.55) BRD4BRD2BRD3LMNAHDAC3
SCHEMBL8316386 0.83 BRD4 (0.44) BRD4BRD2BRD3MEN1KMT2A
SCHEMBL8318078 0.82 BRD4 (0.44) BRD4BRD2BRD3OXTRHTT
SCHEMBL8319389 0.82 BRD4 (0.46) BRD4BRD2BRD3LMNAHDAC1
SCHEMBL8318050 0.82 BRD4 (0.63) BRD4BRD2BRD3LMNASMN1; SMN2

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