SCHEMBL24914865

SCHEMBL24914865

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 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.33
PTGES O14684 4/20 0.32
POLQ O75417 1/20 0.32
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
ACKR3 P25106 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
SCHEMBL23059628 0.93 GPBAR1 (0.34) P2RX7PTGESPOLQAURKAAURKB
SCHEMBL24914869 0.91 BRAF (0.32) PTGESPOLQ
SCHEMBL24914487 0.90 POLQ (0.34) PTGESPOLQCTSS
SCHEMBL24914496 0.89 POLQ (0.38) PTGESPOLQCTSS
SCHEMBL24914632 0.88 PTGES (0.30) PTGESAURKAAURKBLCKKDR
SCHEMBL23053046 0.88 P2RX7 (0.37) P2RX7ACKR3
SCHEMBL23059713 0.87 GPBAR1 (0.32) P2RX7
SCHEMBL24914654 0.87 RXFP1 (0.38) PTGESPOLQCTSS
SCHEMBL20846770 0.86 GPBAR1 (0.34) PTGESAURKAAURKBLCKKDR
SCHEMBL24914563 0.86 POLQ (0.31) PTGESPOLQ

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