SCHEMBL29909534

SCHEMBL29909534

CN(c1cccc(-c2ccncc2)c1)c1nc2nncn2c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.38
PDE5A O76074 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
LRRK2 Q5S007 1/20 0.34
ADORA2A P29274 1/20 0.34
DHODH Q02127 1/20 0.34
NTRK1 P04629 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL23576620 1.00 ABCG2 (0.38) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL23578033 0.93 PDE5A (0.44) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL23577169 0.89 HTR1D (0.40) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL29909450 0.89 HTR1D (0.40) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL23578009 0.89 ALDH1A1 (0.39) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL29909882 0.89 ALDH1A1 (0.39) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL23577979 0.88 ABCG2 (0.38) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL23576825 0.88 FNTA (0.40) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL23577687 0.88 ABCG2 (0.38) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL23576621 0.88 ABCG2 (0.45) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR

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