SCHEMBL29909436

SCHEMBL29909436

CN(c1ccccc1)c1nc2nncn2c2cc(CN3CCOCC3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.39
PDE6D O43924 1/20 0.39
PDE6A P16499 1/20 0.39
PDE6G P18545 1/20 0.39
PDE6B P35913 1/20 0.39
PDE6C P51160 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE6H Q13956 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
PARP1 P09874 1/20 0.38
EGFR P00533 1/20 0.38
HIF1A Q16665 2/20 0.37
EP300 Q09472 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL23577971 1.00 PDE2A (0.39) PDE2APDE6DPDE6APDE6GPDE6B
SCHEMBL23577118 0.82 SMN1; SMN2 (0.38) TP53TSHRSMN1; SMN2
SCHEMBL30961028 0.82 SMN1; SMN2 (0.38) TP53TSHRSMN1; SMN2
SCHEMBL23576722 0.81 KMT2A (0.38) TP53TSHRSMN1; SMN2KMT2A
SCHEMBL29909886 0.81 KMT2A (0.38) TP53TSHRSMN1; SMN2KMT2A
SCHEMBL23576996 0.81 EED (0.36) PDE2ATP53MAPK1SMN1; SMN2
SCHEMBL30013127 0.81 SMN1; SMN2 (0.36) TP53TSHRSMN1; SMN2
SCHEMBL23601767 0.80 SMN1; SMN2 (0.37) TP53SMN1; SMN2
SCHEMBL23577552 0.80 MAPT (0.33) EGFRTP53SMN1; SMN2
SCHEMBL29909139 0.80 MAPT (0.33) EGFRTP53SMN1; SMN2

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
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed