Sugi Predict

Sugi Predict / Compounds / SCHEMBL20913250

SCHEMBL20913250

SCHEMBL20913250

COc1ccc2c(N(C)[C@H]3CCOC3)ncnc2c1OC.COc1ccc2c(NC3(C)CCOC3)ncnc2c1OC.COc1ccc2c(NC3(C)CCOC3C)ncnc2c1OC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 3/20 0.53
▸ PDE1A P54750 2/20 0.53
▸ PDE1C Q14123 2/20 0.53
▸ BRAF P15056 1/20 0.32
▸ PDE4B Q07343 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30

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
SCHEMBL16822604 0.81 PDE1B (0.61) PDE1BPDE1APDE1CPDE4B
SCHEMBL16822571 0.79 PDE1B (0.55) PDE1BPDE1APDE1CJAK2JAK1
SCHEMBL16822561 0.79 PDE1B (0.55) PDE1BPDE1APDE1CJAK2JAK1
SCHEMBL16822534 0.79 PDE1B (0.55) PDE1BPDE1APDE1CJAK2JAK1
SCHEMBL16822550 0.78 PDE1B (0.51) PDE1BPDE1APDE1CPDE4B
SCHEMBL20924052 0.72 PDE1B (0.48) PDE1BPDE1APDE1CPDE4B
SCHEMBL17142268 0.71 PDE1B (0.48) PDE1BPDE1APDE1CPDE4B
SCHEMBL17142266 0.71 PDE1B (0.48) PDE1BPDE1APDE1CPDE4B
SCHEMBL16822553 0.70 PDE1B (1.00) PDE1BPDE1APDE1CPDE4B
SCHEMBL20913252 0.70 PDE1B (0.41) PDE1BPDE1APDE1CBRAFPDE4B

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-3083607-B1 QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H LUNDBECK AS (DK) 2019-04-24 — — EP claimed
Send feedback