SCHEMBL26103100

SCHEMBL26103100

COc1cc2c(-c3ccc(C(C(N)=O)n4cc(C(C)C)nn4)cc3)ncnc2cc1OCC1CCN(C(C)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.41
▸ PIK3CA P42336 3/20 0.41
▸ PIK3CB P42338 3/20 0.41
▸ PIK3CG P48736 3/20 0.41
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ EGFR P00533 8/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ EPHA2 P29317 1/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ KIT P10721 2/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ ENPP1 P22413 2/20 0.37
▸ KDR P35968 3/20 0.36

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
SCHEMBL26102003 0.92 EGFR (0.39) EGFRIRAK4EPHA2EPHB4KIT
SCHEMBL26102187 0.90 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGACHE
SCHEMBL26100989 0.87 KDR (0.39) EGFREPHA2EPHB4KITPDGFRB
SCHEMBL26101324 0.82 EGFR (0.44) ACHEBACE1EGFRKITPDGFRB
SCHEMBL26100162 0.80 MAPK7 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGACHE
SCHEMBL26102536 0.77 MAPK7 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGACHE
SCHEMBL26101800 0.75 EGFR (0.52) EGFRKITPDGFRAKDR
SCHEMBL26101259 0.74 EGFR (0.44) EGFRKITPDGFRBPDGFRAFLT3
SCHEMBL28349038 0.74 KDR (0.50) PDGFRBPDGFRAFLT3KDR
SCHEMBL29238245 0.73 EGFR (0.44) ACHEBACE1EGFRKITPDGFRB

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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