SCHEMBL28589461

SCHEMBL28589461

O=C(NCCO)c1ccccc1Nc1nc(Nc2ccc(CN3CCOCC3)cc2)ncc1Cl

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.81
▸ PTK2 Q05397 5/20 0.65
▸ AXL P30530 3/20 0.65
▸ INSR P06213 1/20 0.64
▸ IGF1R P08069 1/20 0.64
▸ PTK2B Q14289 1/20 0.64
▸ PKMYT1 Q99640 1/20 0.64
▸ SLC2A1 P11166 1/20 0.63
▸ MAPK8 P45983 1/20 0.61
▸ MAPK9 P45984 1/20 0.61
▸ MAPK10 P53779 1/20 0.61
▸ AURKA O14965 1/20 0.60
▸ AURKB Q96GD4 1/20 0.60

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
SCHEMBL28589929 0.95 EGFR (0.79) EGFRPTK2AXLINSRIGF1R
SCHEMBL28604194 0.94 EGFR (0.77) EGFRPTK2AXLINSRIGF1R
SCHEMBL28594508 0.89 EGFR (0.77) EGFRPTK2AXLINSRIGF1R
SCHEMBL28594506 0.88 EGFR (0.84) EGFRPTK2AXLINSRIGF1R
SCHEMBL28590623 0.88 EGFR (0.78) EGFRPTK2AXLINSRIGF1R
SCHEMBL28589740 0.87 EGFR (0.82) EGFRPTK2AXLINSRIGF1R
SCHEMBL28601123 0.86 EGFR (0.80) EGFRPTK2AXLINSRIGF1R
SCHEMBL28586392 0.85 EGFR (0.73) EGFRPTK2AXLINSRIGF1R
SCHEMBL25558720 0.84 MAPK8 (0.78) EGFRPTK2INSRIGF1RPTK2B
SCHEMBL30184441 0.83 EGFR (0.72) EGFRPTK2AXLINSRIGF1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113061117-B 2- ((5-chloro-2- (4-morpholine methylanilino) pyrimidine-4-yl) amino) benzamide derivative 长治学院 2023-02-10 — — CN disclosed
CN-113061117-A 2- ((5-chloro-2- (4-morpholine methylanilino) pyrimidine-4-yl) amino) benzamide derivative 长治学院 2021-07-02 — — CN disclosed
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