SCHEMBL26535728

SCHEMBL26535728

COc1cc2ncnc(-c3ccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)cc3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.61
KDR P35968 7/20 0.57
EGFR P00533 6/20 0.57
BRAF P15056 2/20 0.57
AURKA O14965 5/20 0.57
MET P08581 2/20 0.57
SRC P12931 2/20 0.57
ROCK2 O75116 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57
RET P07949 1/20 0.57
MAPT P10636 1/20 0.57
PDGFRA P16234 1/20 0.57
LTK P29376 1/20 0.57
TTK P33981 1/20 0.57
MAP2K2 P36507 1/20 0.57
MAP2K1 Q02750 1/20 0.57
BTK Q06187 1/20 0.57
TYRO3 Q06418 1/20 0.57

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
SCHEMBL30393137 1.00 EPHX2 (0.61) EPHX2KDREGFRBRAFAURKA
SCHEMBL26136652 0.94 KDR (0.60) EPHX2KDRAURKAMETAURKB
SCHEMBL31137798 0.93 AURKA (0.57) EPHX2KDREGFRAURKAAURKB
SCHEMBL26135146 0.93 AURKA (0.57) EPHX2KDREGFRAURKAAURKB
SCHEMBL26135569 0.93 AURKA (0.57) EPHX2KDREGFRAURKAAURKB
SCHEMBL30891768 0.91 EPHX2 (0.51) EPHX2KDREGFRBRAFAURKA
SCHEMBL30891795 0.91 KDR (0.54) EPHX2KDREGFRAURKAMET
SCHEMBL30393995 0.91 AURKA (0.54) EPHX2KDREGFRBRAFAURKA
SCHEMBL26136636 0.91 KDR (0.54) EPHX2KDREGFRAURKAMET
SCHEMBL26135202 0.91 KDR (0.54) EPHX2KDREGFRAURKAMET

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
CN-118201909-A Quinazoline derivative compound and use thereof 株式会社沃若诺伊 2024-06-14 CN claimed
WO-2023075529-A1 QUINAZOLINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2023-05-04 WO disclosed