SCHEMBL29909398

SCHEMBL29909398

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.37
EGFR P00533 5/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CSF1R P07333 2/20 0.35
MAPT P10636 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL23600785 1.00 TP53 (0.37) TP53EGFRPDGFRBKDRAURKA
SCHEMBL29909768 0.92 FNTA (0.40) TP53ALDH1A1FNTAFNTBMAPT
SCHEMBL23601235 0.92 FNTA (0.40) TP53ALDH1A1FNTAFNTBMAPT
SCHEMBL30920925 0.90 TP53 (0.39) TP53FNTAFNTBCSF1RMAPT
SCHEMBL24721227 0.90 TP53 (0.41) TP53EGFRPDGFRBKDRALDH1A1
SCHEMBL23577190 0.89 MAT2A (0.37) TP53EGFRALDH1A1FNTAFNTB
SCHEMBL29909135 0.89 MAT2A (0.37) TP53EGFRALDH1A1FNTAFNTB
SCHEMBL23576643 0.89 NPM1 (0.39) TP53EGFRPDGFRBKDRALDH1A1
SCHEMBL23576965 0.89 TP53 (0.37) TP53EGFRPDGFRBKDRALDH1A1
SCHEMBL29909323 0.89 TP53 (0.37) TP53EGFRPDGFRBKDRALDH1A1

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