SCHEMBL7362484

SCHEMBL7362484

COc1ccc2cc(-c3cccc(-n4c(=O)c(CBr)nc5cccnc54)c3)ccc2c1Br

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.48
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PDE4B Q07343 7/20 0.37
PDE4D Q08499 4/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.34
MALT1 Q9UDY8 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 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
SCHEMBL7489258 0.88 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2TP53POLB
SCHEMBL7394048 0.87 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2TP53POLB
SCHEMBL6805376 0.80 PDE10A (0.42) TP53PDE4BPDE4DMAPTKDM4E
SCHEMBL6798260 0.75 AKT1 (0.41) TP53PDE4BPDE4DMAPTKDM4E
SCHEMBL6799259 0.73 ALDH1A1 (0.50) TP53POLBPDE4BPDE4DALDH1A1
SCHEMBL6804355 0.72 CYP11B2 (0.47) CYP19A1CYP11B1CYP11B2PDE4BPDE4D
SCHEMBL7360638 0.72 CYP3A4 (0.48) CYP19A1CYP11B1CYP11B2POLBPDE4B
SCHEMBL6794097 0.70 NPSR1 (0.41) TP53PDE4BPDE4DMAPTKDM4E
SCHEMBL6793627 0.70 PDE4B (0.41) TP53POLBPDE4BPDE4DMAPT
SCHEMBL6798463 0.69 ALDH1A1 (0.45) PDE4BPDE4DMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874845-B1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 EP disclosed
US-6117875-A Pyrido (2,3-B) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-12 US disclosed
EP-0874845-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-04 EP disclosed
WO-1997024355-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-10 WO disclosed