SCHEMBL17530772

SCHEMBL17530772

CC(Nc1ncnc(N(C)C)n1)c1cc2cc(Cl)ccc2nc1N1CCNC(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 19/20 0.42
PIK3CD O00329 1/20 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
SCHEMBL17530792 0.89 IDH1 (0.44) IDH1PIK3CD
SCHEMBL17530774 0.89 IDH1 (0.46) IDH1
SCHEMBL714419 0.85 IDH1 (0.35) IDH1PIK3CD
SCHEMBL714418 0.85 IDH1 (0.35) IDH1PIK3CD
SCHEMBL17530767 0.81 IDH1 (0.42) IDH1
SCHEMBL17530779 0.80 PIK3CD (0.36) IDH1PIK3CD
SCHEMBL17530787 0.80 DPP4 (0.37) IDH1PIK3CD
SCHEMBL15899984 0.80 PIK3CD (0.46) IDH1PIK3CD
SCHEMBL15327064 0.79 LPAR2 (0.45) PIK3CD
SCHEMBL15327069 0.78 RAB9A (0.39) IDH1PIK3CD

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