SCHEMBL29909391

SCHEMBL29909391

CN(c1cccc(-c2nnc(C3CC3)s2)c1)c1nc2nnc(Cl)n2c2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.32
PDE5A O76074 2/20 0.32
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 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
SCHEMBL29909227 0.84 ABCG2 (0.34) ABCG2PDE5A
SCHEMBL29909333 0.82 ABCG2 (0.33) ABCG2PDE5A
SCHEMBL29909542 0.81 ABCG2 (0.34) ABCG2PDE5A
SCHEMBL29909524 0.81 KDM4E (0.38) KDM4ENPC1ALDH1A1TP53MAPT
SCHEMBL29909600 0.81 ABCG2 (0.32) ABCG2PDE5A
SCHEMBL29909714 0.81 MAP3K5 (0.33) ABCG2PDE5A
SCHEMBL29909736 0.80 GRM5 (0.33) ABCG2PDE5A
SCHEMBL23601015 0.79 EGFR (0.37) KDM4ENPC1ALDH1A1TP53MAPT
SCHEMBL31169430 0.79 EGFR (0.37) KDM4ENPC1ALDH1A1TP53MAPT
SCHEMBL29909406 0.77 ABCG2 (0.36) MAPTEGFRABCG2PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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