SCHEMBL29848400

SCHEMBL29848400

C=CC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(N5CCN(C)CC5)c(Cl)c4)nc23)c1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.82
FGFR1 P11362 3/20 0.71
KDR P35968 3/20 0.71
JAK3 P52333 6/20 0.66
FGFR2 P21802 3/20 0.66
BTK Q06187 3/20 0.64
JAK2 O60674 2/20 0.56
BLK P51451 1/20 0.56
BMX P51813 1/20 0.56
BRD4 O60885 1/20 0.54
PAK1 Q13153 1/20 0.54
SRC P12931 1/20 0.53

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
SCHEMBL16514170 1.00 EGFR (0.82) EGFRFGFR1KDRJAK3FGFR2
SCHEMBL16513862 0.92 EGFR (0.81) EGFRFGFR1KDRJAK3FGFR2
SCHEMBL29847855 0.92 EGFR (0.81) EGFRFGFR1KDRJAK3FGFR2
SCHEMBL16513561 0.91 FGFR2 (0.81) EGFRFGFR1KDRJAK3FGFR2
SCHEMBL16514316 0.90 FGFR2 (0.70) EGFRFGFR1KDRJAK3FGFR2
SCHEMBL16513909 0.90 EGFR (1.00) EGFRFGFR1KDRJAK3FGFR2
SCHEMBL29847724 0.90 EGFR (0.79) EGFRFGFR1KDRJAK3FGFR2
SCHEMBL16513691 0.90 EGFR (0.79) EGFRFGFR1KDRJAK3FGFR2
SCHEMBL16514045 0.90 EGFR (0.79) EGFRFGFR1KDRJAK3FGFR2
SCHEMBL29847155 0.90 EGFR (0.79) EGFRFGFR1KDRJAK3FGFR2

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