SCHEMBL29238264

SCHEMBL29238264

COc1cc2c(-c3ccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)cc3)ncnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.53
▸ EGFR P00533 12/20 0.53
▸ KIT P10721 3/20 0.51

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
SCHEMBL30394389 1.00 KDR (0.53) KDREGFRKIT
SCHEMBL26536066 0.93 AURKA (0.47) KDREGFRKIT
SCHEMBL30394404 0.93 AURKA (0.47) KDREGFRKIT
SCHEMBL26535311 0.93 KIT (0.47) KDREGFRKIT
SCHEMBL26101787 0.93 KIT (0.48) KDREGFRKIT
SCHEMBL26103044 0.93 AURKA (0.47) KDREGFRKIT
SCHEMBL30393851 0.92 AURKA (0.49) KDREGFRKIT
SCHEMBL26102438 0.92 AURKA (0.49) KDREGFRKIT
SCHEMBL26135248 0.92 KDR (0.46) KDREGFRKIT
SCHEMBL30394725 0.91 KDR (0.52) KDREGFRKIT

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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