SCHEMBL35210288

SCHEMBL35210288

COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1cc(Nc2ccc(OCC3(C)COC3)c(Cl)c2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.40
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
TNNI3K Q59H18 2/20 0.36
ERBB2 P04626 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHEK1 O14757 1/20 0.35
ERBB3 P21860 2/20 0.33
CYP3A4 P08684 1/20 0.32
FGFR3 P22607 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL19089688 1.00 EGFR (0.40) EGFRCDK4CDK2TNNI3KERBB2
SCHEMBL19089359 0.87 EGFR (0.36) EGFRCDK4CDK2TNNI3KERBB2
SCHEMBL19089425 0.86 CDK4 (0.40) EGFRCDK4CDK2TNNI3KERBB2
SCHEMBL35210348 0.86 CDK4 (0.40) EGFRCDK4CDK2TNNI3KERBB2
SCHEMBL19089690 0.84 CDK4 (0.42) EGFRCDK4CDK2TNNI3KALDH1A1
SCHEMBL19089687 0.83 EGFR (0.53) EGFR
SCHEMBL19089604 0.78 EGFR (0.49) EGFRCDK4CDK2TNNI3KERBB3
SCHEMBL29943652 0.76 EGFR (0.42) EGFRCDK4CDK2ALDH1A1
SCHEMBL19089627 0.75 EPHA2 (0.39) EGFRERBB2SMN1; SMN2ERBB3
SCHEMBL19089532 0.74 EGFR (0.46) EGFRERBB2

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
EP-3398939-B1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY ANCUREALL PHARMACEUTICAL SHANGHAI CO LTD (CN) 2026-05-06 EP disclosed