SCHEMBL30739145

SCHEMBL30739145

C=CC(=O)Nc1ccc(-c2cc3ncnc(N)c3n2-c2ccc(Oc3cccc(C)n3)c(F)c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 6/20 0.37
BLK P51451 4/20 0.36
EPHB4 P54760 4/20 0.35
MAP4K4 O95819 1/20 0.35
BMX P51813 3/20 0.34
BTK Q06187 3/20 0.34
MTOR P42345 2/20 0.34
JAK3 P52333 2/20 0.34
KDR P35968 4/20 0.34
EGFR P00533 4/20 0.34
ERBB2 P04626 1/20 0.34
MET P08581 3/20 0.34
FGFR1 P11362 2/20 0.34
FGFR4 P22455 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL30739237 0.86 BLK (0.39) BLKMAP4K4BTKJAK3EGFR
SCHEMBL30739376 0.85 BRD4 (0.40) BLKBTKEGFRMET
SCHEMBL30739427 0.83 BRD4 (0.42) BLKBTKJAK3EGFRMET
SCHEMBL30739192 0.80 CYP3A4 (0.51) BLKBTKJAK3EGFRMET
SCHEMBL30739291 0.80 CYP3A4 (0.51) BLKBTKJAK3EGFRMET
SCHEMBL30739409 0.79 CYP3A4 (0.42) BLKBTKJAK3EGFRFGFR1
SCHEMBL30739302 0.78 EGFR (0.41) TEKBLKEPHB4BTKJAK3
SCHEMBL30739372 0.75 MAP4K4 (0.40) MAP4K4
SCHEMBL30739402 0.74 MAP4K4 (0.37) MAP4K4
SCHEMBL30739323 0.73 MAP4K4 (0.36) MAP4K4

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