SCHEMBL29909275

SCHEMBL29909275

CN(c1cccc(-c2cncnc2)c1)c1nc2nncn2c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.38
PDE5A O76074 2/20 0.38
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DHODH Q02127 1/20 0.32
ALOX15 P16050 1/20 0.31
CREBBP Q92793 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL23577979 1.00 ABCG2 (0.38) ABCG2PDE5ATSHRALDH1A1MAPK1
SCHEMBL23577169 0.91 HTR1D (0.40) ABCG2PDE5ATSHRALDH1A1MAPK1
SCHEMBL29909450 0.91 HTR1D (0.40) ABCG2PDE5ATSHRALDH1A1MAPK1
SCHEMBL23578033 0.90 PDE5A (0.44) ABCG2PDE5ATSHRALDH1A1MAPK1
SCHEMBL29909534 0.88 ABCG2 (0.38) ABCG2PDE5ATSHRALDH1A1MAPK1
SCHEMBL23576620 0.88 ABCG2 (0.38) ABCG2PDE5ATSHRALDH1A1MAPK1
SCHEMBL29909289 0.86 ABCG2 (0.51) ABCG2PDE5ATSHRALDH1A1MAPK1
SCHEMBL23601567 0.86 ABCG2 (0.51) ABCG2PDE5ATSHRALDH1A1MAPK1
SCHEMBL23578009 0.86 ALDH1A1 (0.39) ABCG2PDE5ATSHRALDH1A1MAPK1
SCHEMBL29909882 0.86 ALDH1A1 (0.39) ABCG2PDE5ATSHRALDH1A1MAPK1

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