SCHEMBL30891780

SCHEMBL30891780

COc1cc2c(-c3ccccc3C(=O)NCc3ccc(C(F)(F)F)cc3)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.53
EGFR P00533 11/20 0.53
AURKA O14965 3/20 0.49
AURKB Q96GD4 3/20 0.49
PDGFRB P09619 3/20 0.49
TEK Q02763 1/20 0.49
RPS6KB1 P23443 1/20 0.47
FLT1 P17948 3/20 0.47
FLT4 P35916 3/20 0.47
KIT P10721 1/20 0.46

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
SCHEMBL26101303 0.88 AURKA (0.54) KDREGFRAURKAAURKBPDGFRB
SCHEMBL30394371 0.88 AURKA (0.54) KDREGFRAURKAAURKBPDGFRB
SCHEMBL30891798 0.82 EGFR (0.61) KDREGFRAURKAAURKBPDGFRB
SCHEMBL31137798 0.79 AURKA (0.57) KDREGFRAURKAAURKBPDGFRB
SCHEMBL26135569 0.79 AURKA (0.57) KDREGFRAURKAAURKBPDGFRB
SCHEMBL26135146 0.79 AURKA (0.57) KDREGFRAURKAAURKBPDGFRB
SCHEMBL30394263 0.78 EGFR (0.55) KDREGFRAURKAAURKBPDGFRB
SCHEMBL26102199 0.76 KDR (0.57) KDREGFRAURKAAURKBPDGFRB
SCHEMBL30394367 0.76 AURKA (0.52) KDREGFRAURKAAURKBPDGFRB
SCHEMBL26103749 0.76 AURKA (0.52) KDREGFRAURKAAURKBPDGFRB

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
CN-118201909-A Quinazoline derivative compound and use thereof 株式会社沃若诺伊 2024-06-14 CN disclosed