SCHEMBL30685927

SCHEMBL30685927

Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(C(=O)N(CCO)CCO)cc32)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 1/20 0.70
KDR P35968 5/20 0.61
PDPK1 O15530 2/20 0.61
RET P07949 11/20 0.60
PDGFRB P09619 4/20 0.60
PAK4 O96013 1/20 0.59
PDGFRA P16234 2/20 0.58
FLT3 P36888 4/20 0.58
ALK Q9UM73 4/20 0.58
CSF1R P07333 2/20 0.56
FGFR1 P11362 2/20 0.56
SRC P12931 2/20 0.56
FLT1 P17948 2/20 0.56
FGFR3 P22607 2/20 0.56
MAPK1 P28482 2/20 0.56
FLT4 P35916 2/20 0.56
ABL1 P00519 2/20 0.56
NTRK1 P04629 2/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56

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
SCHEMBL30685885 0.84 PDGFRA (0.53) TLK2KDRPDPK1RETPDGFRB
SCHEMBL30685881 0.83 KDR (0.53) TLK2KDRPDPK1RETPDGFRB
SCHEMBL30685781 0.83 PDGFRA (0.58) TLK2KDRPDPK1RETPDGFRB
SCHEMBL16568378 0.82 TLK2 (0.82) TLK2KDRPDPK1RETPDGFRB
SCHEMBL14519103 0.82 TLK2 (0.82) TLK2KDRPDPK1RETPDGFRB
SCHEMBL5369648 0.80 TLK2 (0.74) TLK2KDRPDPK1RETPDGFRB
SCHEMBL5362637 0.80 TLK2 (0.77) TLK2KDRPDPK1RETPDGFRB
SCHEMBL5367740 0.78 TLK2 (0.75) TLK2KDRPDPK1RETPDGFRB
SCHEMBL5364424 0.78 KDR (0.72) TLK2KDRPDPK1RETPDGFRB
SCHEMBL30685915 0.77 KDR (0.70) TLK2KDRPDPK1RETPDGFRB

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
CN-117447455-A Nitrogen-containing heterocyclic compound 首药控股(北京)股份有限公司 2024-01-26 CN disclosed