SCHEMBL8322223

SCHEMBL8322223

Cc1ccc2c(c1)-n1c(C)nnc1N(Cc1ccc(C#N)cc1)N=C2c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.40
CYP11B2 P19099 4/20 0.39
CYP11B1 P15538 3/20 0.39
CNR1 P21554 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CYP19A1 P11511 3/20 0.35
AR P10275 2/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.34
KDM1A O60341 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8321540 0.91 BRD4 (0.43) BRD4CYP11B2CYP11B1CYP19A1MAPT
SCHEMBL8318636 0.89 BRD4 (0.47) BRD4CYP11B2CYP11B1CYP19A1TSHR
SCHEMBL8320432 0.86 BRD4 (0.44) BRD4MEN1KMT2A
SCHEMBL8323068 0.82 ALDH1A1 (0.44) BRD4CYP11B2CYP11B1TSHRMAPT
SCHEMBL8316889 0.81 BRD4 (0.46) BRD4CNR1MEN1KMT2A
SCHEMBL8314769 0.81 BRD4 (0.46) BRD4CYP11B2CYP11B1CYP19A1
SCHEMBL8317706 0.81 BRD4 (0.52) BRD4CNR1
SCHEMBL8316021 0.80 OPRK1 (0.41) BRD4CYP11B2CNR1CCNCCDK8
SCHEMBL8321315 0.80 BRD4 (0.39) BRD4CYP11B2CYP11B1CCNCCDK8
SCHEMBL8318456 0.80 BRD4 (0.55) BRD4CNR1

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