SCHEMBL29909323

SCHEMBL29909323

COc1ccc(-c2cccc(N(C)c3nc4nncn4c4cc(N)ccc34)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.37
ALDH1A1 P00352 1/20 0.36
PLAU P00749 1/20 0.35
ABCB1 P08183 1/20 0.35
TUBB3 Q13509 1/20 0.35
BACE1 P56817 2/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
PDGFRB P09619 2/20 0.34
EGFR P00533 2/20 0.34
KDR P35968 1/20 0.33
KIT P10721 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL23576965 1.00 TP53 (0.37) TP53ALDH1A1PLAUABCB1TUBB3
SCHEMBL23577063 0.90 ABCG2 (0.38) ALDH1A1PDGFRBEGFRKDR
SCHEMBL29909869 0.90 ABCG2 (0.38) ALDH1A1PDGFRBEGFRKDR
SCHEMBL24721227 0.90 TP53 (0.41) TP53ALDH1A1KMT2AMAPTPDGFRB
SCHEMBL29909005 0.89 MAPT (0.33) TP53ALDH1A1MEN1NPC1PKM
SCHEMBL23576893 0.89 MAPT (0.33) TP53ALDH1A1MEN1NPC1PKM
SCHEMBL29909398 0.89 TP53 (0.37) TP53ALDH1A1MAPTPDGFRBEGFR
SCHEMBL23600785 0.89 TP53 (0.37) TP53ALDH1A1MAPTPDGFRBEGFR
SCHEMBL23576643 0.89 NPM1 (0.39) TP53ALDH1A1ABCB1MAPTPDGFRB
SCHEMBL29909114 0.89 NPM1 (0.39) TP53ALDH1A1ABCB1MAPTPDGFRB

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-4445902-A2 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2024-10-16 EP disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed