SCHEMBL4752045

SCHEMBL4752045

N#Cc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.54
TRPC3 Q13507 3/20 0.48
ORAI1 Q96D31 3/20 0.47
TRPC1 P48995 1/20 0.44
STIM1 Q13586 1/20 0.44
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS1 P23219 3/20 0.43
PTGS2 P35354 2/20 0.43
TP53 P04637 2/20 0.43
TRPC5 Q9UL62 1/20 0.43
THRB P10828 1/20 0.42
TGFBR1 P36897 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL19692283 0.84 TRPC3 (0.48) PDPK1TRPC3ORAI1TRPC1STIM1
SCHEMBL537716 0.84 PDPK1 (0.57) PDPK1PTGS1PTGS2TGFBR1
SCHEMBL7318446 0.83 ORAI1 (0.74) TRPC3ORAI1TRPC1STIM1TP53
SCHEMBL7326377 0.83 ORAI1 (0.74) TRPC3ORAI1TRPC1STIM1TP53
SCHEMBL18865550 0.83 SLC34A1 (0.44) PDPK1TRPC3KDM4EPTGS1PTGS2
Hydrochloric Acid SCHEMBL31546273 0.83 PDPK1 (0.56) PDPK1PTGS1PTGS2TGFBR1
SCHEMBL31625278 0.83 PDPK1 (0.53) PDPK1PTGS1PTGS2TGFBR1
SCHEMBL18865866 0.83 PDPK1 (0.53) PDPK1TRPC3ORAI1STIM1KDM4E
SCHEMBL18865526 0.83 PDPK1 (0.53) PDPK1PTGS1PTGS2TGFBR1
SCHEMBL7320721 0.81 PDPK1 (0.42) PDPK1TRPC3ORAI1TRPC1STIM1

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-2008148836-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed
WO-2008148836-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed