SCHEMBL30891764

SCHEMBL30891764

COc1cc2c(-c3ccc(C(=O)O)cc3)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.59
EGFR P00533 16/20 0.59
KIT P10721 1/20 0.54
AURKA O14965 5/20 0.53
TEK Q02763 5/20 0.53
AURKB Q96GD4 5/20 0.53
FLT4 P35916 5/20 0.53
PDGFRB P09619 4/20 0.53
ERBB2 P04626 3/20 0.53
RET P07949 1/20 0.52
KIF5B P33176 1/20 0.52
FGFR1 P11362 1/20 0.51
FLT1 P17948 1/20 0.51

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
SCHEMBL26099266 1.00 KDR (0.59) KDREGFRKITAURKATEK
SCHEMBL3530992 0.91 EGFR (0.60) KDREGFRKITAURKAAURKB
SCHEMBL31137829 0.89 KDR (0.57) KDREGFRKITAURKATEK
SCHEMBL26098307 0.89 KDR (0.57) KDREGFRKITAURKATEK
SCHEMBL30891810 0.87 KDR (0.55) KDREGFRKITAURKATEK
SCHEMBL26101967 0.87 KDR (0.55) KDREGFRKITAURKATEK
SCHEMBL26101960 0.86 KDR (0.54) KDREGFRKITAURKATEK
SCHEMBL26101510 0.86 KDR (0.53) KDREGFRKITAURKATEK
Hydrochloric Acid SCHEMBL30394719 0.86 KDR (0.56) KDREGFRKITAURKATEK
Hydrochloric Acid SCHEMBL26101705 0.86 KDR (0.56) KDREGFRKITAURKATEK

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