SCHEMBL35210301

SCHEMBL35210301

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(Nc2ccc(OCc3ccccn3)c(Cl)c2)n1.CS(=O)(=O)O

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 13/20 0.45
ERBB2 P04626 11/20 0.45
IGF1R P08069 1/20 0.44
LCK P06239 1/20 0.42
AURKA O14965 2/20 0.41
AURKB Q96GD4 1/20 0.41
KCNH2 Q12809 3/20 0.40
ERBB3 P21860 1/20 0.40
ERBB4 Q15303 1/20 0.40
RPS6KB1 P23443 1/20 0.40
BTK Q06187 1/20 0.40

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
SCHEMBL19089463 0.96 EGFR (0.47) EGFRERBB2IGF1RLCKAURKA
SCHEMBL35210304 0.94 AURKA (0.40) EGFRERBB2IGF1RAURKAAURKB
SCHEMBL19089532 0.84 EGFR (0.46) EGFRERBB2IGF1R
SCHEMBL20549039 0.82 EGFR (0.40) EGFRERBB2LCKBTK
SCHEMBL19089584 0.80 EGFR (0.52) EGFRERBB2KCNH2
SCHEMBL20548975 0.77 FGFR4 (0.38) EGFRIGF1RLCKAURKBERBB4
SCHEMBL19089363 0.76 EGFR (0.49) EGFRIGF1RAURKAAURKB
SCHEMBL19089372 0.75 EGFR (0.62) EGFRERBB2
SCHEMBL29595342 0.74 AURKA (0.44) EGFRIGF1RAURKAAURKBBTK
SCHEMBL28729729 0.74 AURKA (0.44) EGFRIGF1RAURKAAURKBBTK

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