SCHEMBL30685791

SCHEMBL30685791

Cc1cc(C)c(/C=C2\C(=O)Nc3cc(C(=O)NC(CO)c4ccccc4)ccc32)[nH]1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 13/20 0.87
▸ PDGFRA P16234 2/20 0.59
▸ KDR P35968 3/20 0.54
▸ CSF1R P07333 2/20 0.54
▸ RET P07949 2/20 0.54
▸ FGFR1 P11362 2/20 0.54
▸ SRC P12931 2/20 0.54
▸ FLT1 P17948 2/20 0.54
▸ FGFR3 P22607 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ FLT4 P35916 2/20 0.54
▸ FLT3 P36888 2/20 0.54
▸ ALK Q9UM73 2/20 0.54
▸ PDGFRB P09619 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ GMNN O75496 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ LMNA P02545 1/20 0.54

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
SCHEMBL30685852 0.77 PDGFRB (0.68) PAK4PDGFRAKDRCSF1RRET
SCHEMBL26307535 0.76 GRK5 (0.76) PAK4
SCHEMBL30685892 0.75 PDGFRA (0.71) PAK4PDGFRAKDRCSF1RRET
SCHEMBL12473994 0.75 PDGFRA (1.00) PAK4PDGFRAKDRCSF1RRET
SCHEMBL12473996 0.75 PDGFRA (1.00) PAK4PDGFRAKDRCSF1RRET
SCHEMBL5361474 0.74 TLK2 (0.70) PAK4PDGFRAKDRCSF1RRET
SCHEMBL30685881 0.74 KDR (0.53) PAK4PDGFRAKDRCSF1RRET
SCHEMBL5368286 0.74 PAK4 (0.69) PAK4PDGFRAKDRCSF1RRET
SCHEMBL30685781 0.74 PDGFRA (0.58) PAK4PDGFRAKDRCSF1RRET
SCHEMBL8211131 0.73 RET (0.73) PDGFRAKDRCSF1RRETFGFR1

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
Send feedback