SCHEMBL989244

SCHEMBL989244

Fc1[c]cc(-c2cc3c(s2)-c2nc(Cl)ccc2OCC3)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.40
MAP3K14 Q99558 1/20 0.33
NOTUM Q6P988 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
DYRK1A Q13627 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
SCHEMBL12535993 0.80 PIK3CA (0.49) PIK3CAMAP3K14NPC1MAPTRAB9A
SCHEMBL1043434 0.78 PIK3CA (0.63) PIK3CAMAP3K14NPC1MAPTRAB9A
SCHEMBL989303 0.78 PIK3CA (0.38) PIK3CANOTUMNPC1MAPTRAB9A
SCHEMBL1043572 0.75 PIK3CA (0.49) PIK3CA
SCHEMBL1484735 0.74 MAP3K14 (0.40) PIK3CAMAP3K14NOTUMNPC1MAPT
SCHEMBL990975 0.72 PIK3CA (0.55) PIK3CANOTUMMAPTRAB9A
SCHEMBL1484737 0.72 NOTUM (0.57) PIK3CAMAP3K14NOTUM
SCHEMBL989889 0.71 MAP3K14 (0.40) PIK3CAMAP3K14NOTUMMAPTRAB9A
SCHEMBL1078672 0.71 PIK3CA (0.53) PIK3CA
SCHEMBL1042781 0.71 PIK3CA (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP claimed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO claimed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed