SCHEMBL29789908

SCHEMBL29789908

Cn1cnc2c(=O)n(-c3cccc(F)c3)c3nc(C(F)(F)F)ccc3c21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 13/20 0.47
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
ALDH1A2 O94788 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH1A3 P47895 1/20 0.36
MDM2 Q00987 1/20 0.36
MAOB P27338 1/20 0.36
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL24596313 1.00 MAT2A (0.47) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24596155 0.90 MAT2A (0.47) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL30611291 0.88 PDE4A (0.52) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24596154 0.88 PDE4A (0.52) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL30649297 0.86 MAT2A (0.45) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24596165 0.86 MAT2A (0.45) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL29790059 0.84 MAT2A (0.48) MAT2A
SCHEMBL24596356 0.84 MAT2A (0.67) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24596333 0.84 MAT2A (0.48) MAT2A
SCHEMBL29789919 0.84 MAT2A (0.67) 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