SCHEMBL26101784

SCHEMBL26101784

COc1cc2ncnc(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)c2cc1OCCCN1CC(CO)(CO)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.43
FLT1 P17948 3/20 0.43
FLT4 P35916 3/20 0.43
EGFR P00533 5/20 0.41
AURKA O14965 3/20 0.41
AURKB Q96GD4 3/20 0.41
PDGFRB P09619 2/20 0.41
TEK Q02763 1/20 0.41
RET P07949 1/20 0.41
KIT P10721 3/20 0.39
MAPK7 Q13164 1/20 0.39
EHMT2 Q96KQ7 3/20 0.39
EHMT1 Q9H9B1 3/20 0.39
BRAF P15056 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
SCHEMBL26101223 0.91 KDR (0.44) KDRFLT1FLT4EGFRAURKA
SCHEMBL26101444 0.91 KDR (0.44) KDRFLT1FLT4EGFRAURKA
SCHEMBL26099803 0.90 KDR (0.43) KDRFLT1FLT4EGFRAURKA
SCHEMBL26101200 0.90 EGFR (0.49) KDRFLT1FLT4EGFRAURKA
SCHEMBL26100971 0.90 KDR (0.43) KDRFLT1FLT4EGFRAURKA
SCHEMBL26102268 0.90 KDR (0.53) KDRFLT1FLT4EGFRAURKA
SCHEMBL26101243 0.88 EGFR (0.54) KDREGFRAURKAAURKBRET
SCHEMBL26101209 0.87 KIT (0.48) KDRFLT1FLT4EGFRAURKA
SCHEMBL26100028 0.87 FLT1 (0.43) KDRFLT1FLT4EGFRAURKA
SCHEMBL26133412 0.87 FLT1 (0.43) KDRFLT1FLT4EGFRAURKA

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