SCHEMBL31661335

SCHEMBL31661335

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.38
METAP2 P50579 6/20 0.35
PIK3CA P42336 1/20 0.33
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
MAPK10 P53779 2/20 0.31
PARP1 P09874 1/20 0.31
CDC7 O00311 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
HASPIN Q8TF76 1/20 0.31
CDK19 Q9BWU1 1/20 0.31
MAPK8 P45983 1/20 0.31
NNMT P40261 1/20 0.31

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
SCHEMBL31661400 0.92 PARP1 (0.38) METAP2PIK3CAAURKARPS6KB1NR1H2
SCHEMBL31661358 0.87 IDO1 (0.38) PTGER4METAP2PIK3CAAURKARPS6KB1
SCHEMBL31661401 0.83 METAP2 (0.35) PTGER4METAP2PIK3CA
SCHEMBL31661377 0.82 METAP2 (0.38) PTGER4METAP2PIK3CANR1H2
SCHEMBL31661333 0.78 PTGER4 (0.38) PTGER4METAP2
SCHEMBL31661382 0.77 TSHR (0.40) PTGER4METAP2
SCHEMBL30961843 0.72 PTGER4 (0.42) PTGER4METAP2PIK3CA
SCHEMBL3883176 0.71 KDM4E (0.45) NNMT
SCHEMBL30961819 0.71 PTGER4 (0.41) PTGER4METAP2
SCHEMBL31661369 0.71 PTGER4 (0.37) PTGER4METAP2

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