SCHEMBL29909869

SCHEMBL29909869

CN(c1cccc(-c2ccccc2)c1)c1nc2nncn2c2cc(N)ccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.38
PDE5A O76074 2/20 0.38
EGFR P00533 2/20 0.37
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KDR P35968 2/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRB P09619 1/20 0.33
MAOA P21397 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 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
SCHEMBL23577063 1.00 ABCG2 (0.38) ABCG2PDE5AEGFRDHODHALDH1A1
SCHEMBL23576893 0.93 MAPT (0.33) ABCG2PDE5AEGFRDHODHALDH1A1
SCHEMBL29909005 0.93 MAPT (0.33) ABCG2PDE5AEGFRDHODHALDH1A1
SCHEMBL29909160 0.92 ABCG2 (0.38) ABCG2PDE5AEGFRDHODHADORA2A
SCHEMBL23577162 0.92 ABCG2 (0.38) ABCG2PDE5AEGFRDHODHADORA2A
SCHEMBL23600979 0.91 EGFR (0.44) PDE5AEGFRKDR
SCHEMBL29909323 0.90 TP53 (0.37) EGFRALDH1A1KDRPDGFRB
SCHEMBL23576965 0.90 TP53 (0.37) EGFRALDH1A1KDRPDGFRB
SCHEMBL23578033 0.88 PDE5A (0.44) ABCG2PDE5ADHODHALDH1A1TSHR
SCHEMBL23576628 0.87 ABCG2 (0.38) ABCG2PDE5AEGFRDHODHALDH1A1

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