SCHEMBL4565992

SCHEMBL4565992

CCc1c(-c2ccc(C(F)(F)F)cc2)nc(NCCNc2ccc(C#N)c(N)n2)n2nc(C(=O)O)nc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
CACNA1H O95180 2/20 0.34
SCD O00767 1/20 0.33
KDM5A P29375 2/20 0.32
XDH P47989 1/20 0.32
MDM2 Q00987 1/20 0.31
RIPK1 Q13546 1/20 0.31
EGFR P00533 1/20 0.30
LMNA P02545 1/20 0.30
BTK Q06187 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
TAS2R14 Q9NYV8 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL3605268 0.76 KDM4E (0.36) TP53CACNA1HLMNAADORA2A
SCHEMBL12680878 0.72 CTSS (0.36) TP53CACNA1HADORA3
SCHEMBL12680873 0.71 EGLN2 (0.42)
SCHEMBL2933317 0.66 AHR (0.32) TP53CACNA1HLMNAADORA3ADORA2A
SCHEMBL12680869 0.66 ALOX5AP (0.37) BTK
SCHEMBL1514020 0.64 POLB (0.38) LMNA
SCHEMBL16784802 0.63 CALCA (0.33) TP53LMNA
SCHEMBL3614200 0.63 GSK3B (0.37) DPP4
SCHEMBL12680886 0.63 MAPT (0.38) TP53LMNAADORA3ADORA2A
SCHEMBL10270319 0.62 ADORA3 (0.34) TP53SCDADORA3

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-2137188-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-30 EP disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 WO disclosed