SCHEMBL26100799

SCHEMBL26100799

COc1cc2c(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)ncnc2cc1OCc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.51
▸ RET P07949 1/20 0.45
▸ KIF5B P33176 1/20 0.45
▸ KDR P35968 4/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ EPHA2 P29317 1/20 0.44
▸ EPHB4 P54760 1/20 0.44
▸ PDPK1 O15530 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ KIT P10721 2/20 0.40
▸ PPARG P37231 2/20 0.39
▸ TNFRSF1A P19438 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ CHEK1 O14757 2/20 0.39
▸ BRAF P15056 2/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ RAF1 P04049 1/20 0.38

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
SCHEMBL26102254 1.00 PDK1 (0.51) PDK1RETKIF5BKDRFLT1
SCHEMBL26100658 0.91 EGFR (0.45) PDK1KDRKITPSEN1PPARD
SCHEMBL26099737 0.84 BRAF (0.46) KDRFLT1KITBRAFRAF1
SCHEMBL26100111 0.84 EGFR (0.47) PDK1KDRKITPSEN1PPARD
SCHEMBL26102835 0.84 KIT (0.43) KDRFLT1KITBRAFENPP1
SCHEMBL30394282 0.84 KIT (0.43) KDRFLT1KITBRAFENPP1
SCHEMBL30394324 0.83 PDK1 (0.50) PDK1RETKIF5BKDRFLT1
SCHEMBL26536178 0.83 PDK1 (0.50) PDK1RETKIF5BKDRFLT1
SCHEMBL30393909 0.83 PDK1 (0.50) PDK1RETKIF5BKDRFLT1
SCHEMBL26100249 0.83 PDK1 (0.50) PDK1RETKIF5BKDRFLT1

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