SCHEMBL29909528

SCHEMBL29909528

CN(c1ncc(Br)s1)c1nc(NN)nc2cc(Cl)ccc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
MAPT P10636 2/20 0.36
IDO1 P14902 1/20 0.34
NR4A2 P43354 2/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
MPO P05164 1/20 0.32
POLB P06746 1/20 0.32
ADORA1 P30542 1/20 0.31
CHKA P35790 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
SCHEMBL23577932 1.00 GAA (0.36) GAAMAPTIDO1NR4A2KMT2A
SCHEMBL23577333 0.85 EGFR (0.35) NR4A2KMT2ALMNASMN1; SMN2MPO
SCHEMBL30014065 0.85 EGFR (0.35) NR4A2KMT2ALMNASMN1; SMN2MPO
SCHEMBL23601713 0.77 CHKA (0.39) GAAMAPTNR4A2KMT2ALMNA
SCHEMBL23576849 0.76 EGFR (0.41) GAAMAPTKMT2ACHKA
SCHEMBL29909472 0.76 EGFR (0.41) GAAMAPTKMT2ACHKA
SCHEMBL23601276 0.76 GAA (0.40) GAAMAPTIDO1NR4A2KMT2A
SCHEMBL30013543 0.76 GAA (0.38) GAAMAPTIDO1NR4A2KMT2A
SCHEMBL30961048 0.76 GAA (0.50) GAAMAPTADORA1CHKA
SCHEMBL23577187 0.76 GAA (0.50) GAAMAPTADORA1CHKA

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
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed