SCHEMBL29888359

SCHEMBL29888359

NNC(=O)c1nccnc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
TLR7 Q9NYK1 2/20 0.49
FLT3 P36888 1/20 0.46
PTGS1 P23219 3/20 0.44
ALDH1A1 P00352 1/20 0.43
KDR P35968 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
EPHX2 P34913 4/20 0.41
DHODH Q02127 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41

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
SCHEMBL23388887 1.00 MAPT (0.49) MAPTTLR7FLT3PTGS1ALDH1A1
SCHEMBL29967939 0.84 DHODH (0.48) MAPTTLR7FLT3PTGS1ALDH1A1
SCHEMBL23388894 0.84 DHODH (0.48) MAPTTLR7FLT3PTGS1ALDH1A1
SCHEMBL23389039 0.83 MAPT (0.45) MAPTTLR7FLT3PTGS1ALDH1A1
SCHEMBL29968260 0.83 MAPT (0.45) MAPTTLR7FLT3PTGS1ALDH1A1
SCHEMBL18049816 0.83 MAPT (0.55) MAPTPTGS1KDREPHX2DHODH
SCHEMBL30323493 0.81 EGLN1 (0.49) MAPTTLR7KDREGLN1EPHX2
SCHEMBL23388895 0.81 LMNA (0.58) MAPTPTGS1ALDH1A1KDREGLN1
SCHEMBL29968544 0.81 LMNA (0.58) MAPTPTGS1ALDH1A1KDREGLN1
SCHEMBL25247975 0.81 DHODH (0.46) MAPTTLR7ALDH1A1KDRDHODH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279368-B Heteroaryl compounds 维瓦斯治疗公司 2024-05-24 CN disclosed
CN-115279368-A Heteroaryl compounds 维瓦斯治疗公司 2022-11-01 CN disclosed
EP-4061364-A1 HETEROARYL COMPOUNDS Vivace Therapeutics, Inc. (US) 2022-09-28 EP disclosed