SCHEMBL3345943

SCHEMBL3345943

Cn1c(=O)ccc2ncc(F)c(N)c21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.33
PIK3CA P42336 8/20 0.32
PRKDC P78527 2/20 0.32
ATM Q13315 2/20 0.31
MTOR P42345 1/20 0.30
ATR Q13535 1/20 0.30
DPP4 P27487 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL13424820 0.82 DAO (0.36) PIK3CAALDH1A1
SCHEMBL3374251 0.81 HSD17B13 (0.33) PIK3CAPRKDC
SCHEMBL3375679 0.81 L3MBTL1 (0.33) PIK3CAALDH1A1
SCHEMBL30236914 0.81 L3MBTL1 (0.33) PIK3CAALDH1A1
SCHEMBL18544283 0.78 CYP1A2 (0.37) PIK3CAPRKDCALDH1A1
SCHEMBL13425000 0.78 USP2 (0.33) PIK3CADPP4ALDH1A1
SCHEMBL3376345 0.78 MEN1 (0.32) PIK3CAALDH1A1
SCHEMBL3374526 0.77 PIK3CA (0.31) PIK3CA
SCHEMBL3375288 0.77 DPP4 (0.31) PIK3CADPP4
SCHEMBL3378607 0.77 KCNH2 (0.31) PIK3CAATMATRDPP4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010045987-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUIN0LIN-2-0NES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed