SCHEMBL26101392

SCHEMBL26101392

COc1cc2c(-c3ccc([N+](=O)[O-])cc3)ncnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.48
▸ KIT P10721 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ ACHE P22303 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ PIK3CD O00329 2/20 0.46
▸ PIK3CA P42336 2/20 0.46
▸ PIK3CB P42338 2/20 0.46
▸ PIK3CG P48736 2/20 0.46
▸ EPHA2 P29317 6/20 0.46
▸ KDR P35968 3/20 0.44
▸ EGFR P00533 2/20 0.44
▸ EPHB4 P54760 3/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL31137830 1.00 PDGFRB (0.48) PDGFRBKITPDGFRAFLT3ACHE
SCHEMBL26100068 0.86 EGFR (0.57) PDGFRBKITPDGFRAFLT3ACHE
SCHEMBL30394491 0.86 EGFR (0.57) PDGFRBKITPDGFRAFLT3ACHE
SCHEMBL21644472 0.81 ALDH1A1 (0.50) ALDH1A1LMNAMAPT
SCHEMBL29111046 0.81 PDGFRA (0.43) PDGFRBKITPDGFRAFLT3ACHE
Hydrochloric Acid SCHEMBL30891771 0.81 KDR (0.51) PDGFRBKITPDGFRAFLT3ACHE
Hydrochloric Acid SCHEMBL26098361 0.81 KDR (0.51) PDGFRBKITPDGFRAFLT3ACHE
SCHEMBL5828984 0.81 EPHA2 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL17179600 0.81 EPHA2 (0.52) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL664787 0.81 EPHA2 (0.52) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2

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-118201909-A Quinazoline derivative compound and use thereof 株式会社沃若诺伊 2024-06-14 — — CN disclosed
WO-2023075529-A1 QUINAZOLINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2023-05-04 — — WO disclosed
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