SCHEMBL31661333

SCHEMBL31661333

COc1c(C(=O)O)cnc2c3cc(Br)ccc3n(CC(F)(F)F)c12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.38
IDO1 P14902 5/20 0.37
METAP2 P50579 5/20 0.36
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
PTGS2 P35354 1/20 0.34
HSD17B10 Q99714 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
DNMT1 P26358 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL31661358 0.91 IDO1 (0.38) PTGER4IDO1METAP2TSHRHTT
SCHEMBL31661382 0.91 TSHR (0.40) PTGER4IDO1METAP2TSHRHTT
SCHEMBL31661401 0.85 METAP2 (0.35) PTGER4METAP2TSHRHSD17B10
SCHEMBL31661317 0.78 LMNA (0.45) METAP2HTTHSD17B10
SCHEMBL31661335 0.78 PTGER4 (0.38) PTGER4METAP2
SCHEMBL31661377 0.77 METAP2 (0.38) PTGER4METAP2HSD17B10EGFRL3MBTL1
SCHEMBL31661400 0.77 PARP1 (0.38) METAP2
SCHEMBL30961817 0.72 PTGER4 (0.38) PTGER4IDO1METAP2TSHRHTT
SCHEMBL31661339 0.71 CAMK2D (0.37) METAP2HTTPPARG
SCHEMBL30961882 0.70 TSPO (0.35) IDO1METAP2HTT

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-2025151549-A1 PYRIDO[3,2-B]INDOLE-3-CARBONITRILE COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS FLARE THERAPEUTICS INC. (US) 2025-07-17 WO disclosed