SCHEMBL18754151

SCHEMBL18754151

Oc1ccc2c(Oc3ccccc3F)ccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALK Q9UM73 1/20 0.48
MET P08581 2/20 0.46
LMNA P02545 1/20 0.40
SRC P12931 1/20 0.40
TGFBR1 P36897 1/20 0.40
PDGFRA P16234 2/20 0.39
KDR P35968 2/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
GCK P35557 1/20 0.39
RHEB Q15382 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL7468141 0.83 APP (0.49) KDM4EALKLMNAMEN1ALDH1A1
SCHEMBL12004357 0.82 MET (0.48) KDM4EALKMETPDGFRAKDR
SCHEMBL19633787 0.81 FGFR2 (0.48) KDM4EALKPDGFRAKDRALDH1A1
SCHEMBL12004095 0.77 HSPB1 (0.46) ALKMETPDGFRAKDRMEN1
SCHEMBL13739661 0.77 SRC (0.60) METSRCTGFBR1PDGFRAKDR
SCHEMBL2178592 0.76 KDR (0.43) ALKMETPDGFRAKDR
SCHEMBL7461560 0.71 LMNA (0.51) LMNAMEN1ALDH1A1KMT2A
SCHEMBL18265407 0.71 KDR (0.56) ALKMETSRCTGFBR1PDGFRA
SCHEMBL5223147 0.71 MET (0.58) METSRCTGFBR1KDR
Ammonia Solution, Strong SCHEMBL2063874 0.71 MET (0.57) METSRCTGFBR1KDR

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-2532657-B9 Compounds and methods of use SUNSHINE LAKE PHARMA CO LTD (CN) 2017-04-19 EP disclosed