SCHEMBL29238239

SCHEMBL29238239

COc1cc2c(-c3ccc(NC(=O)Cc4ccc(C(F)(F)F)nc4)cc3)ncnc2cc1OCC1CCN(C(C)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 7/20 0.45
▸ KIT P10721 3/20 0.45
▸ KDR P35968 3/20 0.44
▸ EGFR P00533 3/20 0.43
▸ RORC P51449 1/20 0.42
▸ FLT4 P35916 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ ENPP1 P22413 1/20 0.41
▸ WNT3A P56704 1/20 0.41

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
SCHEMBL30393959 1.00 PDGFRB (0.45) PDGFRBKITKDREGFRRORC
SCHEMBL30394725 0.93 KDR (0.52) KITKDREGFR
SCHEMBL29238265 0.93 KDR (0.52) KITKDREGFR
SCHEMBL26534849 0.92 PDGFRB (0.45) PDGFRBKITKDREGFRFLT4
SCHEMBL30394353 0.92 PDGFRB (0.45) PDGFRBKITKDREGFRFLT4
SCHEMBL30891794 0.91 PDGFRB (0.45) PDGFRBKITKDREGFRFLT4
SCHEMBL26135777 0.91 PDGFRB (0.45) PDGFRBKITKDREGFRFLT4
SCHEMBL26535311 0.91 KIT (0.47) PDGFRBKITKDREGFRENPP1
SCHEMBL30891753 0.90 KIT (0.47) PDGFRBKITKDREGFRFLT4
SCHEMBL26535333 0.90 KIT (0.47) PDGFRBKITKDREGFRFLT4

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 claimed
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