SCHEMBL30739302

SCHEMBL30739302

C=CC(=O)Nc1ccc(-c2cc3ncnc(N)c3n2-c2ccc(Nc3cccc(C)n3)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.41
KDR P35968 3/20 0.38
FGFR1 P11362 2/20 0.38
FLT3 P36888 1/20 0.36
BLK P51451 1/20 0.36
BTK Q06187 1/20 0.36
ITK Q08881 1/20 0.36
EPHB4 P54760 1/20 0.36
TEK Q02763 1/20 0.36
ERBB2 P04626 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
FYN P06241 2/20 0.35
SRC P12931 2/20 0.35
FGFR2 P21802 1/20 0.35
MAPK10 P53779 2/20 0.35
MAPK14 Q16539 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL30739192 0.80 CYP3A4 (0.51) EGFRFGFR1BLKBTKJAK3
SCHEMBL30739291 0.80 CYP3A4 (0.51) EGFRFGFR1BLKBTKJAK3
SCHEMBL30739145 0.78 TEK (0.37) EGFRKDRFGFR1BLKBTK
SCHEMBL30739237 0.76 BLK (0.39) EGFRFLT3BLKBTKITK
SCHEMBL30739427 0.75 BRD4 (0.42) EGFRFLT3BLKBTKITK
SCHEMBL30739288 0.74 CYP3A4 (0.43) EGFRFGFR1FLT3BTKERBB2
SCHEMBL30739376 0.74 BRD4 (0.40) EGFRFLT3BLKBTKITK
SCHEMBL30739409 0.72 CYP3A4 (0.42) EGFRFGFR1BLKBTKITK
SCHEMBL29178719 0.72 BTK (0.50) EGFRBLKBTKITKJAK2
SCHEMBL31213907 0.66 EGFR (0.40) EGFRKDRFGFR1BTKITK

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