SCHEMBL19712469

SCHEMBL19712469

Cc1c(-c2ccc(N)nc2)ccn2c(=O)c(OC(=O)O)cc(C3CC3)c12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.37
FEN1 P39748 4/20 0.37
PIK3CA P42336 10/20 0.34
ABL1 P00519 1/20 0.34
MTOR P42345 7/20 0.33
BRD4 O60885 1/20 0.33
CYP3A4 P08684 1/20 0.33
TRPC6 Q9Y210 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
SCHEMBL19712457 0.92 ALOX5AP (0.34) ALOX5APFEN1PIK3CAMTOR
SCHEMBL19712466 0.90 KDM4E (0.34) PIK3CAMTORTRPC6
SCHEMBL19712500 0.89 PIK3CA (0.31) PIK3CA
SCHEMBL19712473 0.88 MAT2A (0.34) PIK3CAMTOR
SCHEMBL19712467 0.86 ALDH1A1 (0.30) CYP3A4
SCHEMBL1290115 0.86 ALOX5AP (0.38) ALOX5APFEN1PIK3CAABL1MTOR
SCHEMBL19712471 0.86 CHRM3 (0.33)
SCHEMBL19712465 0.86 ALOX5AP (0.35) ALOX5APFEN1PIK3CAABL1MTOR
SCHEMBL19723577 0.85 ALOX5AP (0.38) ALOX5APFEN1PIK3CAABL1MTOR
SCHEMBL19712470 0.85 PIK3CA (0.34) PIK3CA

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-2670410-B1 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEV GAITHERSBURG INC (US) 2017-12-20 EP claimed