SCHEMBL17635534

SCHEMBL17635534

Bc1c(C)c(N2CCCC2=O)nc2cc(F)cc(F)c12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.50
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.34
P2RX7 Q99572 1/20 0.33
LMNA P02545 1/20 0.32
ALOX5AP P20292 1/20 0.32
TP53 P04637 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PARP1 P09874 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
SCHEMBL246439 0.86 PIK3CA (0.50) PIK3CAL3MBTL1HSD17B10LMNAALOX5AP
SCHEMBL245528 0.86 PIK3CA (0.50) PIK3CAL3MBTL1HSD17B10P2RX7LMNA
SCHEMBL245506 0.82 PIK3CA (0.51) PIK3CAL3MBTL1HSD17B10PARP1
SCHEMBL248997 0.82 PIK3CA (0.51) PIK3CAL3MBTL1HSD17B10LMNAPARP1
SCHEMBL247622 0.78 PIK3CA (0.48) PIK3CALMNA
SCHEMBL2712435 0.73 PIK3CA (0.43) PIK3CAPARP1
SCHEMBL2713627 0.72 PIK3CA (0.38) PIK3CA
SCHEMBL2123588 0.71 PIK3CA (0.49) PIK3CAL3MBTL1P2RX7LMNATP53
SCHEMBL248229 0.71 PIK3CA (0.51) PIK3CA
SCHEMBL2712138 0.71 PIK3CA (0.59) 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-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed