SCHEMBL29790082

SCHEMBL29790082

Cc1ccccc1-n1c(=O)c2ncn(C)c2c2ccc(C(F)(F)F)nc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 17/20 0.52
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL24596183 1.00 MAT2A (0.52) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24596150 0.90 MAT2A (0.51) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL29789966 0.90 MAT2A (0.51) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL29789932 0.90 MAT2A (0.49) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24596232 0.90 MAT2A (0.49) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24596170 0.89 MAT2A (0.50) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL29789989 0.89 MAT2A (0.57) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24596306 0.89 MAT2A (0.57) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL29790047 0.89 MAT2A (0.50) MAT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24596151 0.88 MAT2A (0.69) 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