SCHEMBL26102536

SCHEMBL26102536

COc1cc2c(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)nc4)cc3)ncnc2cc1OCC1CCN(C(C)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ EGFR P00533 3/20 0.40
▸ PIK3CD O00329 3/20 0.40
▸ PIK3CA P42336 3/20 0.40
▸ PIK3CB P42338 3/20 0.40
▸ PIK3CG P48736 3/20 0.40
▸ EPHA2 P29317 2/20 0.40
▸ EPHB4 P54760 2/20 0.40
▸ KIT P10721 5/20 0.39
▸ KDR P35968 3/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ ENPP1 P22413 1/20 0.38

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
SCHEMBL26102560 0.93 EGFR (0.48) EGFREPHA2EPHB4KITKDR
SCHEMBL26100162 0.93 MAPK7 (0.48) MAPK7ACHEBACE1EGFRPIK3CD
SCHEMBL26101314 0.92 KIT (0.42) MAPK7EGFREPHA2EPHB4KIT
SCHEMBL26103289 0.90 KIT (0.43) EGFREPHA2EPHB4KITKDR
SCHEMBL26103479 0.89 EGFR (0.44) MAPK7EGFRKITKDRP2RX7
SCHEMBL26102638 0.87 KDR (0.41) MAPK7EGFREPHA2EPHB4KIT
SCHEMBL30394062 0.86 EGFR (0.49) MAPK7EGFREPHA2EPHB4KIT
SCHEMBL26101933 0.86 EGFR (0.49) MAPK7EGFREPHA2EPHB4KIT
SCHEMBL30891778 0.84 MAPK7 (0.45) MAPK7EGFREPHA2EPHB4KIT
SCHEMBL26099862 0.84 MAPK7 (0.45) MAPK7EGFREPHA2EPHB4KIT

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
Send feedback