SCHEMBL7489258

SCHEMBL7489258

COc1ccc2cc(-c3cccc(-n4c(=O)c(Cc5cccnc5)nc5cccnc54)c3)ccc2c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.52
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
EGFR P00533 1/20 0.36
BTK Q06187 1/20 0.36
ITK Q08881 1/20 0.36
AKT1 P31749 1/20 0.36
USP2 O75604 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL7362484 0.88 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2MAPTTP53
SCHEMBL6804355 0.86 CYP11B2 (0.47) CYP19A1CYP11B1CYP11B2MAPTEGFR
SCHEMBL7394048 0.84 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2MAPTTP53
SCHEMBL6796737 0.83 MAPT (0.46) CYP19A1CYP11B1CYP11B2MAPTEGFR
SCHEMBL6796370 0.82 AKT1 (0.48) MAPTEGFRBTKITKAKT1
SCHEMBL6798622 0.82 PDE4A (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL6797019 0.81 MAPT (0.48) CYP11B1CYP11B2MAPTEGFRBTK
SCHEMBL6793970 0.81 MAPT (0.48) CYP11B1CYP11B2MAPTEGFRBTK
Hydrochloric Acid SCHEMBL6793114 0.80 MAPT (0.47) CYP11B1CYP11B2MAPTEGFRBTK
SCHEMBL6798823 0.79 CYP2A6 (0.46) MAPTEGFRBTKITKAKT1

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-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