SCHEMBL30853311

SCHEMBL30853311

O=c1[nH]ccc2c1cnn2C1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 11/20 0.47
PDE1C Q14123 8/20 0.46
PDE1A P54750 6/20 0.46
PDE1B Q01064 6/20 0.46
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
JAK3 P52333 1/20 0.44
PDE4D Q08499 1/20 0.43

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
SCHEMBL30853339 0.78 JAK2 (0.49) PDE9AJAK2JAK1JAK3
SCHEMBL22042902 0.77 PDE9A (0.52) PDE9APDE1CPDE1APDE1BPDE4D
SCHEMBL19434476 0.77 PDE9A (0.52) PDE9APDE1CPDE1APDE1BPDE4D
SCHEMBL1742197 0.75 PDE9A (0.54) PDE9APDE1C
SCHEMBL29413167 0.74 PDE1C (0.54) PDE9APDE1CPDE1APDE1BPDE4D
SCHEMBL15910836 0.71 DDB1 (0.51) PDE9APDE1CPDE1APDE1BPDE4D
SCHEMBL17603784 0.70 PDE9A (0.61) PDE9APDE1C
SCHEMBL30896400 0.69 PDE1C (0.46) PDE9APDE1CPDE1APDE1BPDE4D
SCHEMBL14771558 0.69 PDE9A (0.66) PDE9APDE1C
SCHEMBL24968162 0.67 ALDH1A1 (0.50)

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
CN-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 CN disclosed