SCHEMBL8317643

SCHEMBL8317643

Cc1ccc2c(c1)-n1c(C)nnc1NN=C2c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.43
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
GABRA1 P14867 1/20 0.37
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
OPRK1 P41145 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
TP53 P04637 1/20 0.36
BRD2 P25440 2/20 0.35
BRD3 Q15059 2/20 0.35
HSD11B1 P28845 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL8319825 0.88 BRD4 (0.44) BRD4LMNAGABRA1HPGDCNR1
SCHEMBL8318668 0.85 BRD4 (0.59) BRD4LMNAGABRA1HPGDCNR1
SCHEMBL8319224 0.80 BRD4 (0.46) BRD4BRD2BRD3
SCHEMBL8316669 0.78 OPRK1 (0.61) BRD4LMNAGABRA1HPGDCNR1
Bromide SCHEMBL8319843 0.77 OPRK1 (0.60) BRD4LMNAGABRA1HPGDCNR1
SCHEMBL21847194 0.76 BRD4 (0.39) BRD4LMNAGABRA1HPGDCNR1
SCHEMBL8320939 0.75 BRD4 (0.43) BRD4KMT2ALMNAGABRA1HPGD
SCHEMBL8323556 0.74 BRD4 (0.54) BRD4LMNAGABRA1HPGDCNR1
SCHEMBL8317008 0.74 OPRK1 (0.48) BRD4OPRK1BRD2BRD3
SCHEMBL8319053 0.72 BRD4 (0.44) BRD4LMNAGABRA1GABRA5GABRA3

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 1 patent. 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 disclosed