SCHEMBL29909612

SCHEMBL29909612

CN(c1cccc(-c2ccsc2)c1)c1nc2nncn2c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.38
ABCG2 Q9UNQ0 2/20 0.36
PDE5A O76074 2/20 0.36
HTR1D P28221 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
BACE1 P56817 1/20 0.32
NQO2 P16083 1/20 0.32
PRMT6 Q96LA8 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
SCHEMBL23576624 1.00 KDR (0.38) KDRABCG2PDE5AHTR1DSMN1; SMN2
SCHEMBL23578033 0.88 PDE5A (0.44) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL29909324 0.87 HTR1D (0.41) KDRPDE5AHTR1DPDGFRBPDGFRA
SCHEMBL23576923 0.87 HTR1D (0.41) KDRPDE5AHTR1DPDGFRBPDGFRA
SCHEMBL23576620 0.86 ABCG2 (0.38) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL29909534 0.86 ABCG2 (0.38) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL30979054 0.85 SMN1; SMN2 (0.37) KDRPDE5ASMN1; SMN2TSHR
SCHEMBL23577734 0.85 SMN1; SMN2 (0.37) KDRPDE5ASMN1; SMN2TSHR
SCHEMBL23601567 0.84 ABCG2 (0.51) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL23578009 0.84 ALDH1A1 (0.39) 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