SCHEMBL4438797

SCHEMBL4438797

COc1ccc2c(Cc3ccc(N4N=C(c5ccccc5)c5ccccc5C4N)cc3)ccnc2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
GRM4 Q14833 1/20 0.40
MET P08581 9/20 0.39
TLR8 Q9NR97 1/20 0.38
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
FFAR1 O14842 1/20 0.37
CYP3A4 P08684 3/20 0.37
HTR1A P08908 2/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
PRKACG P22612 1/20 0.36
FERMT2 Q96AC1 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
ALK Q9UM73 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
SCHEMBL4441986 0.71 MEN1 (0.45)
SCHEMBL4434315 0.70 MET (0.34) KCNH2GRM4METCYP3A4PRKACG
SCHEMBL2210610 0.70 HTR1A (0.51) METTLR8ENPP3ENPP1HTR1A
SCHEMBL30682065 0.67 CSF1R (0.52) TLR8
SCHEMBL4668540 0.66 FEN1 (0.33) MET
SCHEMBL9159084 0.65 GRM4 (0.67) KCNH2GRM4METTLR8ENPP3
SCHEMBL4668233 0.65 AURKA (0.37)
SCHEMBL2206383 0.65 THRB (0.54) ENPP3
SCHEMBL30682106 0.64 CALM1 (0.53) TLR8ENPP3ENPP1HTR1AADRA1D
SCHEMBL23496966 0.63 TLR8 (0.49) KCNH2TLR8ENPP3ENPP1CYP3A4

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-2137177-A2 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2009-12-30 EP disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 WO disclosed