SCHEMBL29238205

SCHEMBL29238205

COCCN1CCC(COc2cc3ncnc(-c4ccc(NC(=O)Cc5ccc(C(F)(F)F)nc5)cc4)c3cc2OC)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 6/20 0.49
▸ AURKA O14965 5/20 0.46
▸ AURKB Q96GD4 3/20 0.46
▸ KIT P10721 3/20 0.45
▸ KDR P35968 3/20 0.44
▸ EGFR P00533 4/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ FGFR4 P22455 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CSK P41240 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ PTK2 Q05397 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
SCHEMBL30394056 1.00 PDGFRB (0.49) PDGFRBAURKAAURKBKITKDR
SCHEMBL30394353 0.93 PDGFRB (0.45) PDGFRBAURKAAURKBKITKDR
SCHEMBL26534849 0.93 PDGFRB (0.45) PDGFRBAURKAAURKBKITKDR
SCHEMBL30394725 0.93 KDR (0.52) KITKDREGFR
SCHEMBL29238265 0.93 KDR (0.52) KITKDREGFR
SCHEMBL26102438 0.91 AURKA (0.49) PDGFRBAURKAAURKBKITKDR
SCHEMBL30393851 0.91 AURKA (0.49) PDGFRBAURKAAURKBKITKDR
SCHEMBL29238239 0.90 PDGFRB (0.45) PDGFRBKITKDREGFR
SCHEMBL30393959 0.90 PDGFRB (0.45) PDGFRBKITKDREGFR
SCHEMBL26102091 0.90 PDGFRB (0.48) PDGFRBAURKAAURKBKITKDR

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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