SCHEMBL29238222

SCHEMBL29238222

COc1cc2ncnc(-c3ccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)cc3)c2cc1OCCCNC1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.46
▸ FLT4 P35916 8/20 0.44
▸ PDGFRB P09619 8/20 0.44
▸ FLT3 P36888 7/20 0.44
▸ EGFR P00533 2/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ FLT1 P17948 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ BRAF P15056 2/20 0.43
▸ AXL P30530 1/20 0.43
▸ MERTK Q12866 1/20 0.43
▸ KIT P10721 2/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ CSF1R P07333 3/20 0.43
▸ RET P07949 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ DDR1 Q08345 1/20 0.43

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
SCHEMBL26099160 1.00 KDR (0.46) KDRFLT4PDGFRBFLT3EGFR
SCHEMBL30394221 1.00 KDR (0.46) KDRFLT4PDGFRBFLT3EGFR
SCHEMBL26102366 0.89 KDR (0.51) KDRFLT4PDGFRBFLT3EGFR
SCHEMBL29238215 0.88 KDR (0.54) KDRFLT4PDGFRBFLT3EGFR
SCHEMBL30394611 0.88 KDR (0.54) KDRFLT4PDGFRBFLT3EGFR
SCHEMBL26102182 0.87 KDR (0.51) KDRFLT4PDGFRBFLT3EGFR
SCHEMBL30393995 0.86 AURKA (0.54) KDRFLT4PDGFRBFLT3EGFR
SCHEMBL26101719 0.86 AURKA (0.54) KDRFLT4PDGFRBFLT3EGFR
SCHEMBL30394365 0.86 FLT4 (0.58) KDRFLT4PDGFRBFLT3EGFR
SCHEMBL30394286 0.86 FLT4 (0.58) KDRFLT4PDGFRBFLT3EGFR

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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