SCHEMBL26101243

SCHEMBL26101243

COc1cc2ncnc(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.54
KIT P10721 4/20 0.52
KDR P35968 5/20 0.51
BRAF P15056 2/20 0.51
AURKA O14965 4/20 0.50
SRC P12931 3/20 0.50
AURKB Q96GD4 2/20 0.50
ROCK2 O75116 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
RET P07949 1/20 0.50
MET P08581 1/20 0.50
MAPT P10636 1/20 0.50
PDGFRA P16234 1/20 0.50
LTK P29376 1/20 0.50
TTK P33981 1/20 0.50
MAP2K2 P36507 1/20 0.50
MAP2K1 Q02750 1/20 0.50
BTK Q06187 1/20 0.50

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
SCHEMBL26102268 0.93 KDR (0.53) EGFRKITKDRAURKAAURKB
SCHEMBL26101209 0.91 KIT (0.48) EGFRKITKDRAURKAAURKB
SCHEMBL26101200 0.89 EGFR (0.49) EGFRKITKDRBRAFAURKA
SCHEMBL26098355 0.89 TLR9 (0.48) EGFRKITKDRAURKAAURKB
SCHEMBL26099804 0.89 TLR9 (0.48) EGFRKITKDRAURKAAURKB
SCHEMBL26103399 0.88 KDR (0.44) EGFRKITKDRBRAFAURKA
SCHEMBL26101784 0.88 KDR (0.43) EGFRKITKDRBRAFAURKA
SCHEMBL26133412 0.88 FLT1 (0.43) EGFRKITKDRAURKAAURKB
SCHEMBL26100028 0.88 FLT1 (0.43) EGFRKITKDRAURKAAURKB
SCHEMBL26101223 0.87 KDR (0.44) EGFRKITKDRBRAFAURKA

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