SCHEMBL23577413

SCHEMBL23577413

COc1ccc(N(C)c2nc(Cl)nc3ccccc23)cc1.COc1ccc(N(C)c2nc3nncn3c3ccccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.71
PDGFRB P09619 2/20 0.71
KDR P35968 2/20 0.71
CASP1 P29466 1/20 0.49
CASP14 P31944 1/20 0.49
CASP3 P42574 1/20 0.49
CASP2 P42575 1/20 0.49
CASP4 P49662 1/20 0.49
CASP5 P51878 1/20 0.49
CASP7 P55210 1/20 0.49
CASP9 P55211 1/20 0.49
CASP6 P55212 1/20 0.49
CASP8 Q14790 1/20 0.49
CASP12 Q6UXS9 1/20 0.49
CASP10 Q92851 1/20 0.49
TUBB4A P04350 3/20 0.47
TUBB P07437 3/20 0.47
TUBA3C P0DPH7 3/20 0.47
TUBA1B P68363 3/20 0.47
TUBA4A P68366 3/20 0.47

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
SCHEMBL29909686 0.90 EGFR (0.52) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL23577069 0.90 EGFR (0.52) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL2257339 0.84 EGFR (1.00) EGFRPDGFRBKDRCASP1CASP14
Hydrochloric Acid SCHEMBL1685084 0.83 EGFR (0.97) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL23576745 0.81 MAPT (0.41) EGFRPDGFRBKDRMAPTSMN1; SMN2
SCHEMBL23577222 0.81 PDE5A (0.44) EGFRPDGFRBKDRSMN1; SMN2
SCHEMBL30961004 0.81 PDE5A (0.44) EGFRPDGFRBKDRSMN1; SMN2
SCHEMBL29909588 0.79 ALDH1A1 (0.48) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL23578005 0.79 ALDH1A1 (0.48) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL23577048 0.79 CSF1R (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed