SCHEMBL26100115

SCHEMBL26100115

COc1cc2c(-c3ccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)cc3)ncnc2cc1OC[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 4/20 0.47
▸ ERBB2 P04626 2/20 0.46
▸ EPHB4 P54760 1/20 0.46
▸ EGFR P00533 3/20 0.44
▸ KIT P10721 2/20 0.44
▸ MAPK7 Q13164 1/20 0.44
▸ PIK3CD O00329 2/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ KDR P35968 4/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ ENPP1 P22413 1/20 0.42

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
SCHEMBL30393123 1.00 EPHA2 (0.47) EPHA2ERBB2EPHB4EGFRKIT
SCHEMBL26534201 1.00 EPHA2 (0.47) EPHA2ERBB2EPHB4EGFRKIT
SCHEMBL26103424 1.00 EPHA2 (0.47) EPHA2ERBB2EPHB4EGFRKIT
SCHEMBL30394779 1.00 EPHA2 (0.47) EPHA2ERBB2EPHB4EGFRKIT
SCHEMBL30394645 0.97 EPHA2 (0.45) EPHA2ERBB2EPHB4EGFRKIT
SCHEMBL26136499 0.97 EPHA2 (0.45) EPHA2ERBB2EPHB4EGFRKIT
SCHEMBL26136507 0.96 EPHA2 (0.47) EPHA2ERBB2EPHB4EGFRKIT
SCHEMBL30394773 0.96 EPHA2 (0.47) EPHA2ERBB2EPHB4EGFRKIT
SCHEMBL26535755 0.96 EPHA2 (0.47) EPHA2ERBB2EPHB4EGFRKIT
SCHEMBL26101664 0.92 KIT (0.48) ERBB2EGFRKITMAPK7KDR

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