SCHEMBL26099389

SCHEMBL26099389

COc1cc2c(-c3ccc([N+](=O)[O-])cc3)ncnc2cc1OC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.52
▸ KIT P10721 7/20 0.49
▸ ACHE P22303 1/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ PDGFRB P09619 4/20 0.47
▸ PDGFRA P16234 3/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ KDR P35968 1/20 0.43
▸ PDE10A Q9Y233 2/20 0.43
▸ ENPP1 P22413 1/20 0.41
▸ MET P08581 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL26099390 0.84 ABCG2 (0.49) ABCG2KITACHEBACE1PDGFRB
SCHEMBL30393169 0.81 ABCG2 (0.57) ABCG2KITACHEBACE1PDGFRB
SCHEMBL26101189 0.80 PDGFRB (0.50) KITPDGFRBPDGFRAKDRPDE10A
SCHEMBL26102054 0.78 ABCG2 (0.54) ABCG2KITACHEBACE1PDGFRB
SCHEMBL26101213 0.78 ABCG2 (0.53) ABCG2KITACHEBACE1PDGFRB
SCHEMBL31137830 0.72 PDGFRB (0.48) ABCG2KITACHEBACE1PDGFRB
SCHEMBL30394041 0.72 MAPT (0.55) ABCG2ACHEBACE1PDGFRBPDGFRA
Hydrochloric Acid SCHEMBL30891771 0.72 KDR (0.51) ABCG2KITACHEBACE1PDGFRB
SCHEMBL30394491 0.72 EGFR (0.57) ABCG2KITACHEBACE1PDGFRB
SCHEMBL26100068 0.72 EGFR (0.57) ABCG2KITACHEBACE1PDGFRB

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
WO-2023075529-A1 QUINAZOLINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2023-05-04 — — WO disclosed
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