SCHEMBL23601209

SCHEMBL23601209

CN(c1ccccc1)c1nc(=N)n(C=N)c2cc(NCCO)ccc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MMP14 P50281 1/20 0.33
BLM P54132 1/20 0.33
CASP6 P55212 1/20 0.33
PGK1 P00558 1/20 0.33
BTK Q06187 1/20 0.33
MAPK1 P28482 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
SCHEMBL23601197 0.83 MAPT (0.43) KMT2ACYP2C19MEN1
SCHEMBL23601722 0.81 PDE5A (0.36)
SCHEMBL23601069 0.81 PDE5A (0.37)
SCHEMBL23601707 0.80 PDE5A (0.42)
SCHEMBL23576768 0.77 MAPK1 (0.35) KMT2ACYP2C19MEN1POLBMMP14
SCHEMBL29909920 0.77 MAPK1 (0.35) KMT2ACYP2C19MEN1POLBMMP14
SCHEMBL23601308 0.77 CSNK2A1 (0.39) KMT2AMEN1POLBMAPK1
SCHEMBL23601391 0.77 EGFR (0.46)
SCHEMBL23601734 0.76 PDE5A (0.34)
SCHEMBL23601723 0.76 PDE5A (0.36) KMT2AMEN1

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