SCHEMBL29238236

SCHEMBL29238236

COc1cc2c(-c3ccc(NC(=O)Cc4ccc(C(F)(F)F)nc4)cc3)ncnc2cc1OCC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 5/20 0.47
▸ AXL P30530 1/20 0.46
▸ TYRO3 Q06418 1/20 0.46
▸ MERTK Q12866 1/20 0.46
▸ FLT4 P35916 9/20 0.44
▸ KDR P35968 7/20 0.44
▸ EGFR P00533 4/20 0.44
▸ FGFR1 P11362 4/20 0.44
▸ FLT1 P17948 4/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ PDGFRB P09619 9/20 0.42
▸ CSF1R P07333 2/20 0.41
▸ RET P07949 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ DDR1 Q08345 1/20 0.41
▸ FLT3 P36888 5/20 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
SCHEMBL30394321 1.00 KIT (0.47) KITAXLTYRO3MERTKFLT4
SCHEMBL30394725 0.91 KDR (0.52) KITKDREGFR
SCHEMBL29238265 0.91 KDR (0.52) KITKDREGFR
SCHEMBL30891790 0.91 KDR (0.46) KITAXLTYRO3MERTKFLT4
SCHEMBL26102350 0.91 KDR (0.46) KITAXLTYRO3MERTKFLT4
SCHEMBL26536043 0.91 KDR (0.46) KITAXLTYRO3MERTKFLT4
SCHEMBL30394353 0.90 PDGFRB (0.45) KITFLT4KDREGFRPDGFRB
SCHEMBL30393959 0.90 PDGFRB (0.45) KITFLT4KDREGFRPDGFRB
SCHEMBL29238239 0.90 PDGFRB (0.45) KITFLT4KDREGFRPDGFRB
SCHEMBL26534849 0.90 PDGFRB (0.45) KITFLT4KDREGFRPDGFRB

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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