SCHEMBL23601515

SCHEMBL23601515

CN(c1cccc(-c2ccc(C3(CN)CC3)cc2)c1)c1nc(=N)n(C=N)c2cc(Cl)ccc12

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A2 P23975 1/20 0.32
EGFR P00533 1/20 0.32
DPP4 P27487 2/20 0.32
ALOX5 P09917 1/20 0.31
MAT2A P31153 1/20 0.31
PBK Q96KB5 1/20 0.31
DPP8 Q6V1X1 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
SCHEMBL23601520 0.84 MCHR1 (0.37)
SCHEMBL23577586 0.82 FNTA (0.34) SLC6A4SLC6A3SLC6A2DPP4MAT2A
SCHEMBL29909830 0.82 FNTA (0.34) SLC6A4SLC6A3SLC6A2DPP4MAT2A
SCHEMBL23601897 0.78 MAT2A (0.33) EGFRMAT2A
SCHEMBL23601273 0.78 TDP1 (0.39) MAT2A
SCHEMBL23601374 0.77 DHODH (0.37) MAT2A
SCHEMBL23600539 0.77 MAT2A (0.35) MAT2A
SCHEMBL23601637 0.77 DHODH (0.32)
SCHEMBL23601009 0.76 DHODH (0.33) EGFRMAT2A
SCHEMBL23601516 0.75 MAT2A (0.31) MAT2A

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
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed