SCHEMBL3791850

SCHEMBL3791850

CC(N)c1cc2cccc(Cl)c2nc1NCC1CCC(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 18/20 0.46
PDCD1LG2 Q9BQ51 13/20 0.46
IRAK4 Q9NWZ3 1/20 0.43
PDCD1 Q15116 5/20 0.41
IRAK1 P51617 1/20 0.40

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
SCHEMBL864022 1.00 CD274 (0.46) CD274PDCD1LG2IRAK4PDCD1IRAK1
SCHEMBL864023 1.00 CD274 (0.46) CD274PDCD1LG2IRAK4PDCD1IRAK1
SCHEMBL865397 0.83 PIK3CD (0.41) CD274PDCD1LG2IRAK4PDCD1IRAK1
SCHEMBL864057 0.83 CD274 (0.38) CD274PDCD1LG2IRAK4PDCD1IRAK1
SCHEMBL864056 0.83 CD274 (0.38) CD274PDCD1LG2IRAK4PDCD1IRAK1
SCHEMBL865396 0.83 PIK3CD (0.41) CD274PDCD1LG2IRAK4PDCD1IRAK1
SCHEMBL863494 0.82 PIK3CD (0.44) CD274PDCD1LG2IRAK4PDCD1IRAK1
SCHEMBL863495 0.82 PIK3CD (0.44) CD274PDCD1LG2IRAK4PDCD1IRAK1
SCHEMBL864019 0.81 PIK3CD (0.40) CD274PDCD1LG2IRAK4PDCD1IRAK1
SCHEMBL864020 0.81 PIK3CD (0.40) CD274PDCD1LG2IRAK4PDCD1IRAK1

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-2396315-A1 FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2011-12-21 EP disclosed
WO-2010092340-A1 FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-08-19 WO disclosed