SCHEMBL30394491

SCHEMBL30394491

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.57
▸ ACHE P22303 1/20 0.54
▸ BACE1 P56817 1/20 0.54
▸ KDR P35968 7/20 0.52
▸ KIT P10721 2/20 0.52
▸ FGFR1 P11362 5/20 0.51
▸ FLT1 P17948 5/20 0.51
▸ FLT4 P35916 5/20 0.51
▸ SRC P12931 2/20 0.51
▸ PDGFRB P09619 2/20 0.51
▸ TEK Q02763 2/20 0.51
▸ BMPR1B O00238 1/20 0.51
▸ PLK4 O00444 1/20 0.51
▸ CIT O14578 1/20 0.51
▸ GAK O14976 1/20 0.51
▸ EPHB6 O15197 1/20 0.51
▸ RIPK2 O43353 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ STK10 O94804 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51

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
SCHEMBL26100068 1.00 EGFR (0.57) EGFRACHEBACE1KDRKIT
Hydrochloric Acid SCHEMBL30891771 0.87 KDR (0.51) EGFRACHEBACE1KDRKIT
Hydrochloric Acid SCHEMBL26098361 0.87 KDR (0.51) EGFRACHEBACE1KDRKIT
SCHEMBL31137830 0.86 PDGFRB (0.48) EGFRACHEBACE1KDRKIT
SCHEMBL26101392 0.86 PDGFRB (0.48) EGFRACHEBACE1KDRKIT
SCHEMBL30393893 0.86 EGFR (0.64) EGFRKDRKITFGFR1FLT1
Hydrochloric Acid SCHEMBL26100747 0.83 KDR (0.52) EGFRACHEBACE1KDRKIT
Hydrochloric Acid SCHEMBL30891808 0.83 KDR (0.52) EGFRACHEBACE1KDRKIT
SCHEMBL26100098 0.82 EGFR (0.56) EGFRKDRKITFGFR1FLT1
SCHEMBL26100102 0.82 EGFR (0.62) EGFRKDRKIT

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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