SCHEMBL29790059

SCHEMBL29790059

Cn1cnc2c(=O)n(-c3cccc(F)c3F)c3nc(C(F)(F)F)ccc3c21

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 18/20 0.48
RXFP1 Q9HBX9 1/20 0.37
TRPA1 O75762 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
SCHEMBL24596333 1.00 MAT2A (0.48) MAT2ARXFP1TRPA1
SCHEMBL29789966 0.93 MAT2A (0.51) MAT2ARXFP1
SCHEMBL24596150 0.93 MAT2A (0.51) MAT2ARXFP1
SCHEMBL24596242 0.91 MAT2A (0.50) MAT2ARXFP1
SCHEMBL29789901 0.91 MAT2A (0.50) MAT2ARXFP1
SCHEMBL24596152 0.90 MAT2A (0.47) MAT2ARXFP1
SCHEMBL29789921 0.90 MAT2A (0.47) MAT2ARXFP1
SCHEMBL29789945 0.88 MAT2A (0.46) MAT2ARXFP1
SCHEMBL24596216 0.88 MAT2A (0.46) MAT2ARXFP1
SCHEMBL24596170 0.85 MAT2A (0.50) MAT2A

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