SCHEMBL19712470

SCHEMBL19712470

Cc1c(-c2ccc(N)c(F)c2)ccn2c(=O)c(OC(=O)O)cc(C3CC3)c12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.34
GRM2 Q14416 1/20 0.31
MAPK13 O15264 1/20 0.31
DGAT1 O75907 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
SCHEMBL19712472 0.93 BRD4 (0.35) PIK3CAMAPK13
SCHEMBL19712467 0.91 ALDH1A1 (0.30)
SCHEMBL19712489 0.91 FFAR4 (0.31) PIK3CAMAPK13
SCHEMBL19712471 0.90 CHRM3 (0.33) GRM2DGAT1
SCHEMBL19712486 0.89 PIK3CA (0.35) PIK3CA
SCHEMBL19712478 0.89 CYP1A2 (0.38)
SCHEMBL19712464 0.88 CD274 (0.36) PIK3CAGRM2MAPK13DGAT1
SCHEMBL19712500 0.88 PIK3CA (0.31) PIK3CA
SCHEMBL19712496 0.87 PRMT5 (0.32)
SCHEMBL1290126 0.86 NOTUM (0.34) PIK3CAMAPK13DGAT1

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