SCHEMBL29696317

SCHEMBL29696317

COc1ccc(COc2cc(Nc3ncc(-c4ccc(C(F)(F)F)cn4)o3)cnc2C(N)=NO)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.43
▸ LIPE Q05469 1/20 0.36
▸ FLT1 P17948 4/20 0.35
▸ FLT4 P35916 4/20 0.35
▸ KDR P35968 4/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ VCP P55072 2/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ F2RL3 Q96RI0 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ CSF1R P07333 3/20 0.33
▸ KIT P10721 1/20 0.32

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
SCHEMBL22925756 1.00 NPSR1 (0.43) NPSR1LIPEFLT1FLT4KDR
SCHEMBL29696304 0.91 IMPDH2 (0.43) NPSR1FLT1FLT4KDRIMPDH2
SCHEMBL22926080 0.91 IMPDH2 (0.43) NPSR1FLT1FLT4KDRIMPDH2
SCHEMBL22925755 0.83 IMPDH2 (0.38) LIPEFLT1FLT4KDRIMPDH2
SCHEMBL29620887 0.83 IMPDH2 (0.38) LIPEFLT1FLT4KDRIMPDH2
SCHEMBL22925796 0.83 IMPDH2 (0.39) NPSR1FLT1FLT4KDRIMPDH2
SCHEMBL29696291 0.83 IMPDH2 (0.39) NPSR1FLT1FLT4KDRIMPDH2
SCHEMBL28733796 0.81 PPARD (0.41) NPSR1IMPDH2GSK3BPDE2APPARD
SCHEMBL22925905 0.81 PPARD (0.41) NPSR1IMPDH2GSK3BPDE2APPARD
SCHEMBL22925757 0.81 NPSR1 (0.40) NPSR1FLT1KDRVCP

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
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 — — EP disclosed
Send feedback