SCHEMBL31661382

SCHEMBL31661382

COC(=O)c1cnc2c3cc(Br)ccc3n(CC(F)(F)F)c2c1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
METAP2 P50579 4/20 0.39
PTGER4 P35408 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR4A2 P43354 1/20 0.38
IDO1 P14902 3/20 0.36
ELANE P08246 4/20 0.36
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS2 P35354 1/20 0.33
PLA2G2A P14555 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
SCHEMBL31661333 0.91 PTGER4 (0.38) TSHRHTTMETAP2PTGER4L3MBTL1
SCHEMBL31661358 0.90 IDO1 (0.38) TSHRHTTMETAP2PTGER4IDO1
SCHEMBL31661377 0.86 METAP2 (0.38) METAP2PTGER4L3MBTL1MAPK1HSD17B10
SCHEMBL31661317 0.79 LMNA (0.45) HTTMETAP2ELANELMNAMAPK1
SCHEMBL30961817 0.77 PTGER4 (0.38) TSHRHTTMETAP2PTGER4L3MBTL1
SCHEMBL31661401 0.77 METAP2 (0.35) TSHRMETAP2PTGER4HSD17B10
SCHEMBL31661335 0.77 PTGER4 (0.38) METAP2PTGER4
SCHEMBL31661400 0.76 PARP1 (0.38) METAP2
SCHEMBL30961757 0.72 MAPT (0.36) TSHRHTTMETAP2PTGER4IDO1
SCHEMBL30961882 0.69 TSPO (0.35) HTTMETAP2IDO1LMNAMAPK1

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