SCHEMBL29909686

SCHEMBL29909686

COc1ccc(N(C)c2nc3nncn3c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.52
PDGFRB P09619 4/20 0.52
KDR P35968 4/20 0.52
CASP1 P29466 1/20 0.50
CASP14 P31944 1/20 0.50
CASP3 P42574 1/20 0.50
CASP2 P42575 1/20 0.50
CASP4 P49662 1/20 0.50
CASP5 P51878 1/20 0.50
CASP7 P55210 1/20 0.50
CASP9 P55211 1/20 0.50
CASP6 P55212 1/20 0.50
CASP8 Q14790 1/20 0.50
CASP12 Q6UXS9 1/20 0.50
CASP10 Q92851 1/20 0.50
TUBB3 Q13509 2/20 0.42
ABCB1 P08183 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL23577069 1.00 EGFR (0.52) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL23577413 0.90 EGFR (0.71) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL30961004 0.87 PDE5A (0.44) EGFRPDGFRBKDRSMN1; SMN2
SCHEMBL23577222 0.87 PDE5A (0.44) EGFRPDGFRBKDRSMN1; SMN2
SCHEMBL29909776 0.87 DYRK1A (0.44) EGFRPDGFRBKDRSMN1; SMN2
SCHEMBL23601282 0.87 DYRK1A (0.44) EGFRPDGFRBKDRSMN1; SMN2
SCHEMBL29909632 0.87 EGFR (0.40) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL23577808 0.87 EGFR (0.40) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL23577877 0.86 SMN1; SMN2 (0.43) EGFRPDGFRBKDRKDM4ESMN1; SMN2
SCHEMBL23578005 0.86 ALDH1A1 (0.48) EGFRPDGFRBKDRCASP1CASP14

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