SCHEMBL31661377

SCHEMBL31661377

C=Cc1ccc2c(c1)c1ncc(C(=O)OC)c(OC)c1n2CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.38
MAPT P10636 4/20 0.32
TP53 P04637 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
NR1H2 P55055 1/20 0.31
PIK3CA P42336 1/20 0.31
ROCK2 O75116 1/20 0.31
EGFR P00533 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
USP2 O75604 1/20 0.30
MAPK1 P28482 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL31661401 0.92 METAP2 (0.35) METAP2MAPTIRAK4PIK3CAALDH1A1
SCHEMBL31661400 0.91 PARP1 (0.38) METAP2NR1H2PIK3CA
SCHEMBL31661382 0.86 TSHR (0.40) METAP2L3MBTL1MAPK1HSD17B10PTGER4
SCHEMBL31661335 0.82 PTGER4 (0.38) METAP2NR1H2PIK3CAPTGER4
SCHEMBL31661333 0.77 PTGER4 (0.38) METAP2EGFRL3MBTL1HSD17B10PTGER4
SCHEMBL30961772 0.76 KDM4E (0.33) METAP2ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL31661358 0.76 IDO1 (0.38) METAP2PIK3CAEGFRPTGER4
SCHEMBL30961779 0.71 PTGER4 (0.31) PTGER4
SCHEMBL30961782 0.71 METAP2 (0.32) METAP2PTGER4
SCHEMBL30961784 0.67 MAPT (0.32) METAP2MAPTL3MBTL1ALDH1A1CYP1A2

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