SCHEMBL29847865

SCHEMBL29847865

C=CC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)c1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.81
FGFR2 P21802 2/20 0.78
BTK Q06187 7/20 0.72
JAK2 O60674 4/20 0.70
JAK1 P23458 4/20 0.70
JAK3 P52333 4/20 0.70
TYK2 P29597 2/20 0.70
FGFR1 P11362 2/20 0.67
KDR P35968 2/20 0.67
TTK P33981 1/20 0.62
FLT3 P36888 1/20 0.61
BLK P51451 1/20 0.61

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
SCHEMBL16513980 1.00 EGFR (0.81) EGFRFGFR2BTKJAK2JAK1
SCHEMBL16514767 0.97 EGFR (0.76) EGFRFGFR2BTKJAK2JAK1
SCHEMBL29848265 0.97 EGFR (0.76) EGFRFGFR2BTKJAK2JAK1
SCHEMBL21449167 0.96 EGFR (0.75) EGFRFGFR2BTKJAK2JAK1
SCHEMBL29847929 0.92 EGFR (0.69) EGFRFGFR2BTKJAK2JAK1
SCHEMBL16513694 0.92 EGFR (0.69) EGFRFGFR2BTKJAK2JAK1
SCHEMBL16513826 0.92 EGFR (0.82) EGFRFGFR2BTKJAK2JAK1
SCHEMBL29848128 0.92 EGFR (0.82) EGFRFGFR2BTKJAK2JAK1
SCHEMBL16515011 0.92 BTK (0.70) EGFRFGFR2BTKJAK2JAK1
SCHEMBL16514701 0.91 EGFR (0.68) EGFRFGFR2BTKJAK2JAK1

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-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 CN disclosed