SCHEMBL23601723

SCHEMBL23601723

CN(c1ccccc1)c1nc(=N)n(C=N)c2cc(-c3ccncc3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.36
HTR6 P50406 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
METAP2 P50579 1/20 0.34
ABCC1 P33527 1/20 0.34
CHEK1 O14757 1/20 0.33
IMPDH2 P12268 2/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL23601707 0.93 PDE5A (0.42) PDE5A
SCHEMBL23601210 0.91 PDE5A (0.36) PDE5AHTR6MAPT
SCHEMBL23601069 0.85 PDE5A (0.37) PDE5AMAPTCDK2GSK3BDYRK1A
SCHEMBL23601804 0.84 CHEK1 (0.38) PDE5AMEN1KMT2AMAPTCHEK1
SCHEMBL23601722 0.83 PDE5A (0.36) PDE5A
SCHEMBL23601557 0.81 LMNA (0.40) ALDH1A1
SCHEMBL23601391 0.81 EGFR (0.46)
SCHEMBL23601519 0.78 ABCG2 (0.46) MEN1KMT2AMAPTGSK3BALDH1A1
SCHEMBL23601308 0.77 CSNK2A1 (0.39) MEN1KMT2AMAPTALDH1A1
SCHEMBL23601197 0.77 MAPT (0.43) MEN1KMT2AMAPTIMPDH2ALDH1A1

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