SCHEMBL29909532

SCHEMBL29909532

CN(c1cccc(-c2ccccc2F)c1)c1nc2nncn2c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.42
PDE5A O76074 2/20 0.37
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
ADORA2B P29275 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
DHODH Q02127 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
SCHEMBL23576805 1.00 ABCG2 (0.42) ABCG2PDE5AADORA2AADORA1ADORA2B
SCHEMBL23576729 0.88 SMN1; SMN2 (0.41) ABCG2PDE5ASMN1; SMN2MAPTBACE1
SCHEMBL29909672 0.88 SMN1; SMN2 (0.41) ABCG2PDE5ASMN1; SMN2MAPTBACE1
SCHEMBL23577235 0.88 ABCG2 (0.37) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL23601567 0.87 ABCG2 (0.51) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL29909289 0.87 ABCG2 (0.51) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL23578033 0.87 PDE5A (0.44) ABCG2PDE5ASMN1; SMN2ALDH1A1TSHR
SCHEMBL29909029 0.86 ABCG2 (0.45) ABCG2PDE5ASMN1; SMN2MAPTALDH1A1
SCHEMBL23576621 0.86 ABCG2 (0.45) ABCG2PDE5ASMN1; SMN2MAPTALDH1A1
SCHEMBL23577767 0.86 BACE1 (0.37) ABCG2PDE5AADORA2AADORA1ADORA2B

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