SCHEMBL29909299

SCHEMBL29909299

CN(c1cccc(C#CC2CC2)c1)c1nc2nncn2c2ccc(F)cc12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.33
GSK3B P49841 1/20 0.33
MAPT P10636 1/20 0.32
GRM5 P41594 1/20 0.31
HTR6 P50406 1/20 0.31
DHODH Q02127 1/20 0.30

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
SCHEMBL23577280 1.00 ABCG2 (0.33) ABCG2GSK3BMAPTGRM5HTR6
SCHEMBL23577453 0.90 MAPT (0.33) GSK3BMAPT
SCHEMBL29909044 0.90 MAPT (0.33) GSK3BMAPT
SCHEMBL23601314 0.87
SCHEMBL29909621 0.85 ABCG2 (0.34) ABCG2GRM5DHODH
SCHEMBL23577412 0.85 ABCG2 (0.34) ABCG2GRM5DHODH
SCHEMBL29909261 0.84 ABCG2 (0.32) ABCG2GSK3B
SCHEMBL23576669 0.80 MAPT (0.34) ABCG2MAPT
SCHEMBL29909682 0.80 MAPT (0.34) ABCG2MAPT
SCHEMBL23578049 0.80 ABCG2 (0.42) ABCG2

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