SCHEMBL30739376

SCHEMBL30739376

C=CC(=O)Nc1cnc(-c2cc3ncnc(N)c3n2-c2ccc(Oc3cccc(C)n3)c(F)c2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
EGFR P00533 15/20 0.39
ITK Q08881 5/20 0.39
BLK P51451 3/20 0.39
BTK Q06187 2/20 0.38
MET P08581 4/20 0.37
FLT3 P36888 1/20 0.37
SRC P12931 1/20 0.36
CTSC P53634 1/20 0.36

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
SCHEMBL30739427 0.90 BRD4 (0.42) BRD4EGFRITKBLKBTK
SCHEMBL30739237 0.89 BLK (0.39) BRD4EGFRITKBLKBTK
SCHEMBL30739145 0.85 TEK (0.37) EGFRBLKBTKMET
SCHEMBL30739402 0.83 MAP4K4 (0.37)
SCHEMBL30739372 0.83 MAP4K4 (0.40)
SCHEMBL30739323 0.83 MAP4K4 (0.36)
SCHEMBL30739393 0.80 MAP4K4 (0.32) MET
SCHEMBL30739409 0.78 CYP3A4 (0.42) EGFRITKBLKBTK
SCHEMBL30739291 0.78 CYP3A4 (0.51) BRD4EGFRBLKBTKMET
SCHEMBL30739192 0.78 CYP3A4 (0.51) BRD4EGFRBLKBTKMET

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