SCHEMBL29178708

SCHEMBL29178708

FC(F)(F)COc1ncnc(I)c1Br

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.37
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
THRB P10828 1/20 0.32
G6PD P11413 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL29178655 0.79 ALDH1A1 (0.39) ADORA2AMAP3K7TAB1ALDH1A1MAPT
SCHEMBL10569355 0.71 ALDH1A1 (0.45) ADORA2AMAP3K7TAB1ALDH1A1MAPT
SCHEMBL10188533 0.69 GSK3A (0.39) MAP3K7TAB1ALDH1A1MAPTKDM4E
SCHEMBL29178712 0.68
SCHEMBL30953676 0.66 L3MBTL1 (0.50) MAP3K7TAB1ALDH1A1MAPTKDM4E
SCHEMBL25244784 0.64 MAPT (0.39) ADORA2AMAP3K7TAB1ALDH1A1MAPT
SCHEMBL938838 0.64 HPGD (0.43) MAPTKDM4EMEN1KMT2A
SCHEMBL9741538 0.64 MAP3K7 (0.37) MAP3K7TAB1ALDH1A1MAPTKDM4E
SCHEMBL9741879 0.64 MAP3K7 (0.40) ADORA2AMAP3K7TAB1ALDH1A1MAPT
SCHEMBL23978006 0.63 MAP3K7 (0.34) MAP3K7TAB1ALDH1A1MAPTKDM4E

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
CN-117466897-A Highly selective FGFR2 inhibitors 深圳福沃药业有限公司 2024-01-30 CN disclosed