SCHEMBL29789902

SCHEMBL29789902

[2H]C([2H])([2H])n1cnc2c(=O)n(-c3cccnc3C)c3nc(C(F)(F)F)ccc3c21

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 19/20 0.63
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL29790033 0.93 MAT2A (0.69) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24596151 0.93 MAT2A (0.69) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL29789931 0.83 MAT2A (0.69) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24596218 0.83 MAT2A (0.69) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL29790007 0.83 MAT2A (0.43) MAT2A
SCHEMBL24596183 0.81 MAT2A (0.52) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL29790082 0.81 MAT2A (0.52) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24596223 0.81 MAT2A (0.53) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24596221 0.81 MAT2A (0.53) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL29789949 0.81 MAT2A (0.53) MAT2APDE4APDE4BPDE4CPDE4D

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-2022143864-A1 TRICYCLIC COMPOUND AND USE THEREOF 江苏先声药业有限公司 2022-07-07 WO disclosed