SCHEMBL17530787

SCHEMBL17530787

Cc1ccc2nc(N3CCNC(=O)C3)c(C(C)Nc3ncnc(N)n3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
PIK3CD O00329 1/20 0.36
IDH1 O75874 5/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
SOS1 Q07889 1/20 0.35
OPRK1 P41145 3/20 0.34
PRMT5 O14744 1/20 0.34
RAB9A P51151 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL17530779 0.91 PIK3CD (0.36) DPP4IRAK4PIK3CDIDH1PIK3CA
SCHEMBL17530774 0.90 IDH1 (0.46) IDH1
SCHEMBL17530814 0.89 DPP4 (0.37) DPP4IRAK4PIK3CDIDH1SOS1
SCHEMBL17530857 0.86 IDH1 (0.34) PIK3CDIDH1PIK3CAMTORSOS1
SCHEMBL17530800 0.85 IRAK4 (0.38) DPP4IRAK4PIK3CDIDH1PIK3CA
SCHEMBL718088 0.83 PIK3CD (0.42) PIK3CDIDH1PIK3CAMTORSOS1
SCHEMBL718089 0.83 PIK3CD (0.42) PIK3CDIDH1PIK3CAMTORSOS1
SCHEMBL15875818 0.82 SOS1 (0.38) IDH1PIK3CAMTORSOS1OPRK1
SCHEMBL15875820 0.82 SOS1 (0.38) IDH1PIK3CAMTORSOS1OPRK1
SCHEMBL17530792 0.82 IDH1 (0.44) PIK3CDIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP claimed