SCHEMBL29909368

SCHEMBL29909368

COc1ccc2c(N(C)c3ccccc3)nc3nnc(F)n3c2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.45
EGFR P00533 4/20 0.43
PDGFRB P09619 4/20 0.43
KDR P35968 4/20 0.43
CASP1 P29466 1/20 0.39
CASP14 P31944 1/20 0.39
CASP3 P42574 1/20 0.39
CASP2 P42575 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
CASP12 Q6UXS9 1/20 0.39
CASP10 Q92851 1/20 0.39
PDGFRA P16234 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL29909273 0.85 ABCG2 (0.36) EGFRPDGFRBKDR
SCHEMBL30979132 0.84 EGFR (0.43) EGFRKDR
SCHEMBL30979122 0.83 PDE5A (0.43) EGFRPDGFRBKDR
SCHEMBL29909428 0.82 ABCG2 (0.34) EGFR
SCHEMBL29909694 0.81 CYP1A1 (0.35) CSF1REGFR
SCHEMBL23578005 0.80 ALDH1A1 (0.48) CSF1REGFRPDGFRBKDRCASP1
SCHEMBL29909588 0.80 ALDH1A1 (0.48) CSF1REGFRPDGFRBKDRCASP1
SCHEMBL29909748 0.75 SCN9A (0.40) CSF1REGFRHPGD
SCHEMBL30979049 0.75 ABCG2 (0.43) EGFRPDGFRBKDR
SCHEMBL29909731 0.74 ABCG2 (0.46)

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