SCHEMBL29909117

SCHEMBL29909117

CN(c1cccc(OC(F)(F)F)c1)c1nc2nncn2c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
GRM2 Q14416 2/20 0.34
ACP1 P24666 1/20 0.34
DYRK1A Q13627 1/20 0.33
HDAC1 Q13547 2/20 0.33
PDE5A O76074 1/20 0.32
EPHX2 P34913 1/20 0.32
CETP P11597 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
SCHEMBL23577319 1.00 SMN1; SMN2 (0.35) SMN1; SMN2ABCG2GRM2ACP1DYRK1A
SCHEMBL29909776 0.87 DYRK1A (0.44) SMN1; SMN2DYRK1A
SCHEMBL23601282 0.87 DYRK1A (0.44) SMN1; SMN2DYRK1A
SCHEMBL29909006 0.84 EGFR (0.42) SMN1; SMN2ABCG2
SCHEMBL23601727 0.84 EGFR (0.42) SMN1; SMN2ABCG2
SCHEMBL23577419 0.82 ABCG2 (0.52) SMN1; SMN2ABCG2PDE5A
SCHEMBL31229721 0.82 ABCG2 (0.52) SMN1; SMN2ABCG2PDE5A
SCHEMBL23576748 0.81 CYP1A2 (0.44) SMN1; SMN2ABCG2DYRK1APDE5A
SCHEMBL29909727 0.81 CYP1A2 (0.44) SMN1; SMN2ABCG2DYRK1APDE5A
SCHEMBL23577241 0.81 MAPT (0.43) SMN1; SMN2ABCG2DYRK1APDE5A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4445902-A2 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2024-10-16 EP disclosed
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed