SCHEMBL26100179

SCHEMBL26100179

COCCN1CCC(COc2cc3ncnc(-c4ccc(C(C(N)=O)c5ccc(C(F)(F)F)cc5)cc4)c3cc2OC)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 3/20 0.44
▸ MAPK7 Q13164 1/20 0.43
▸ SLC2A1 P11166 1/20 0.43
▸ EGFR P00533 6/20 0.42
▸ AURKB Q96GD4 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ KDR P35968 6/20 0.40
▸ FLT1 P17948 4/20 0.40
▸ FLT4 P35916 4/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ RET P07949 2/20 0.39
▸ KIF5B P33176 2/20 0.39
▸ PDGFRB P09619 3/20 0.39
▸ ENPP1 P22413 2/20 0.39
▸ FGFR1 P11362 2/20 0.39
▸ BMPR1B O00238 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CIT O14578 1/20 0.39
▸ GAK O14976 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
SCHEMBL26103289 0.93 KIT (0.43) KITEGFRAURKBKDRFLT1
SCHEMBL26099300 0.92 KDR (0.44) KITMAPK7SLC2A1EGFRKDR
SCHEMBL26099862 0.92 MAPK7 (0.45) KITMAPK7SLC2A1EGFRAURKB
SCHEMBL30891778 0.92 MAPK7 (0.45) KITMAPK7SLC2A1EGFRAURKB
SCHEMBL30394062 0.92 EGFR (0.49) KITMAPK7SLC2A1EGFRAURKB
SCHEMBL26101933 0.92 EGFR (0.49) KITMAPK7SLC2A1EGFRAURKB
SCHEMBL26103463 0.90 MAPK7 (0.44) KITMAPK7SLC2A1EGFRKDR
SCHEMBL26100162 0.89 MAPK7 (0.48) KITMAPK7SLC2A1EGFRKDR
SCHEMBL26101209 0.87 KIT (0.48) KITMAPK7EGFRAURKBAURKA
SCHEMBL26100035 0.87 KDR (0.46) KITMAPK7SLC2A1EGFRKDR

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 claimed
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