SCHEMBL29178671

SCHEMBL29178671

FC(F)(F)COc1ncnc2cc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
EGFR P00533 11/20 0.37
ERBB2 P04626 11/20 0.37
ERBB3 P21860 11/20 0.37
ERBB4 Q15303 11/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
EIF4E P06730 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
TNNI3K Q59H18 1/20 0.32
CDC7 O00311 2/20 0.31
DBF4 Q9UBU7 2/20 0.31
TRPA1 O75762 1/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL13768011 0.74 KDM4E (0.49) DYRK1AEGFRERBB2ERBB3ERBB4
SCHEMBL15612939 0.74 DYRK1A (0.53) DYRK1AEGFRERBB2ERBB3ERBB4
SCHEMBL4001800 0.73 CDC7 (0.60) DYRK1AMAP3K7TAB1EGFRERBB2
SCHEMBL29178674 0.71 DYRK1A (0.46) DYRK1AEGFRERBB2ERBB3ERBB4
SCHEMBL30539061 0.70 RAB9A (0.57) EGFR
SCHEMBL8325550 0.70 HTR6 (0.41)
SCHEMBL10569355 0.67 ALDH1A1 (0.45) MAP3K7TAB1CYP17A1
SCHEMBL29418928 0.67 EGFR (0.42) EGFRCYP17A1
SCHEMBL16809892 0.65 DYRK1A (0.55) DYRK1AEGFRERBB2ERBB3ERBB4
SCHEMBL3575456 0.64 TRPA1 (0.51) DYRK1AEGFRERBB2ERBB3ERBB4

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