SCHEMBL26101787

SCHEMBL26101787

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 3/20 0.48
▸ EGFR P00533 4/20 0.47
▸ MAPK7 Q13164 1/20 0.46
▸ KDR P35968 4/20 0.46
▸ SLC2A1 P11166 1/20 0.44
▸ ENPP1 P22413 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ PDGFRB P09619 5/20 0.44
▸ PDGFRA P16234 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
SCHEMBL26101669 0.96 KIT (0.48) KITEGFRMAPK7KDRSLC2A1
SCHEMBL26102390 0.96 KIT (0.48) KITEGFRMAPK7KDRSLC2A1
SCHEMBL26101664 0.96 KIT (0.48) KITEGFRMAPK7KDRSLC2A1
SCHEMBL26535311 0.94 KIT (0.47) KITEGFRMAPK7KDRSLC2A1
SCHEMBL29238264 0.93 KDR (0.53) KITEGFRKDR
SCHEMBL30394389 0.93 KDR (0.53) KITEGFRKDR
SCHEMBL26100466 0.92 KIT (0.47) KITEGFRMAPK7KDRSLC2A1
SCHEMBL26102923 0.92 KIT (0.47) KITEGFRMAPK7KDRSLC2A1
SCHEMBL30394645 0.92 EPHA2 (0.45) KITEGFRMAPK7KDRSLC2A1
SCHEMBL26136499 0.92 EPHA2 (0.45) KITEGFRMAPK7KDRSLC2A1

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
WO-2023075529-A1 QUINAZOLINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2023-05-04 — — WO claimed
WO-2023075529-A1 QUINAZOLINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2023-05-04 — — WO disclosed
Send feedback