SCHEMBL7366554

SCHEMBL7366554

CC(=O)Nc1cccc(-c2cccc(-n3c(=O)c(Cc4ccc[n+]([O-])c4)nc4cccnc43)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
BTK Q06187 1/20 0.41
ITK Q08881 1/20 0.41
AKT1 P31749 6/20 0.41
AKT2 P31751 5/20 0.41
AKT3 Q9Y243 5/20 0.41
CYP2C9 P11712 2/20 0.41
TGFBR1 P36897 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MCHR1 Q99705 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 2/20 0.37
STAT1 P42224 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL6801778 0.87 EGFR (0.45) EGFRBTKITKAKT1AKT2
SCHEMBL6794776 0.86 ALDH1A1 (0.39) EGFRBTKITKAKT1CYP2C9
SCHEMBL8063774 0.86 EGFR (0.40) EGFRBTKITKAKT1CYP2C9
SCHEMBL7398117 0.86 EGFR (0.40) EGFRBTKITKAKT1CYP2C9
SCHEMBL7487412 0.84 AKT1 (0.37) EGFRBTKITKAKT1AKT2
SCHEMBL6797247 0.84 EGFR (0.53) EGFRBTKITKAKT1AKT2
SCHEMBL6797690 0.83 EGFR (0.46) EGFRBTKITKAKT1AKT2
SCHEMBL6799861 0.83 EGFR (0.40) EGFRBTKITKAKT1TP53
SCHEMBL7366555 0.83 TGFBR1 (0.42) EGFRBTKITKAKT1AKT2
SCHEMBL6798795 0.81 EGFR (0.49) EGFRBTKITKAKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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