SCHEMBL17530779

SCHEMBL17530779

CC(Nc1ncnc(N)n1)c1cc2cc(Br)ccc2nc1N1CCNC(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
IDH1 O75874 9/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
HTT P42858 1/20 0.34
PRMT5 O14744 1/20 0.34
SOS1 Q07889 2/20 0.33
DPP4 P27487 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KRAS P01116 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL17530787 0.91 DPP4 (0.37) PIK3CDIDH1PIK3CAMTORPRMT5
SCHEMBL17530774 0.90 IDH1 (0.46) IDH1
SCHEMBL17530857 0.84 IDH1 (0.34) PIK3CDIDH1PIK3CAMTORPRMT5
SCHEMBL715234 0.84 SOS1 (0.36) PIK3CDIDH1PIK3CAMTORPRMT5
SCHEMBL715233 0.84 SOS1 (0.36) PIK3CDIDH1PIK3CAMTORPRMT5
SCHEMBL718088 0.82 PIK3CD (0.42) PIK3CDIDH1PIK3CAMTORPRMT5
SCHEMBL17530792 0.82 IDH1 (0.44) PIK3CDIDH1
SCHEMBL718089 0.82 PIK3CD (0.42) PIK3CDIDH1PIK3CAMTORPRMT5
SCHEMBL717873 0.81 PIK3CD (0.41) PIK3CDIDH1PIK3CAMTORPRMT5
SCHEMBL717874 0.81 PIK3CD (0.41) PIK3CDIDH1PIK3CAMTORPRMT5

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