SCHEMBL24914632

SCHEMBL24914632

C=CCN(C(=O)c1ccc(C(F)(F)F)nc1)c1cccc(C(=O)Nc2c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.30
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
LCK P06239 1/20 0.30
KDR P35968 1/20 0.30
MAPK14 Q16539 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL24914495 0.93 PTGES (0.31) PTGESLCKKDRMAPK14CTSS
SCHEMBL24914857 0.90 BRAF (0.33)
SCHEMBL23059628 0.90 GPBAR1 (0.34) PTGESAURKAAURKBLCKKDR
SCHEMBL24914763 0.89 KCNK3 (0.35) PTGESCTSS
SCHEMBL24914865 0.88 P2RX7 (0.33) PTGESAURKAAURKBLCKKDR
SCHEMBL23053046 0.88 P2RX7 (0.37)
SCHEMBL23059713 0.87 GPBAR1 (0.32)
SCHEMBL20846770 0.86 GPBAR1 (0.34) PTGESAURKAAURKBLCKKDR
SCHEMBL24914954 0.86 RXFP1 (0.37) PTGESCTSS
SCHEMBL25085597 0.83 AR (0.35) PTGESLCKKDRMAPK14

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-2023284645-A1 AMIDE COMPOUND AND USE THEREOF 沈阳化工大学 2023-01-19 WO disclosed