SCHEMBL26535641

SCHEMBL26535641

CCN(CC)CCOc1cc2c(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)ncnc2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 0.55
▸ EGFR P00533 4/20 0.51
▸ PDGFRB P09619 2/20 0.49
▸ FLT4 P35916 2/20 0.49
▸ AURKA O14965 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48
▸ HDAC3 O15379 3/20 0.48
▸ HDAC4 P56524 3/20 0.48
▸ HDAC1 Q13547 3/20 0.48
▸ HDAC7 Q8WUI4 3/20 0.48
▸ HDAC2 Q92769 3/20 0.48
▸ HDAC10 Q969S8 3/20 0.48
▸ HDAC11 Q96DB2 3/20 0.48
▸ HDAC8 Q9BY41 3/20 0.48
▸ HDAC6 Q9UBN7 3/20 0.48
▸ HDAC9 Q9UKV0 3/20 0.48
▸ HDAC5 Q9UQL6 3/20 0.48
▸ CSF1R P07333 1/20 0.47
▸ FLT3 P36888 1/20 0.47

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
SCHEMBL30394637 1.00 KDR (0.55) KDREGFRPDGFRBFLT4AURKA
SCHEMBL26102568 0.91 KDR (0.53) KDREGFRPDGFRBFLT4HDAC1
SCHEMBL26100255 0.88 KDR (0.49) KDREGFRPDGFRBFLT4AURKA
SCHEMBL26098752 0.85 PDGFRB (0.54) KDREGFRPDGFRBFLT4HDAC3
SCHEMBL30394508 0.85 PDGFRB (0.54) KDREGFRPDGFRBFLT4HDAC3
SCHEMBL26102256 0.84 PDGFRB (0.51) KDREGFRPDGFRBFLT4CSF1R
SCHEMBL26102182 0.81 KDR (0.51) KDREGFRPDGFRBFLT4AURKB
SCHEMBL30393191 0.81 KDR (0.47) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL26098887 0.81 KDR (0.47) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL30394611 0.80 KDR (0.54) KDREGFRPDGFRBFLT4AURKA

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 2 patents. 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
CN-118201909-A Quinazoline derivative compound and use thereof 株式会社沃若诺伊 2024-06-14 — — CN disclosed
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