SCHEMBL26099906

SCHEMBL26099906

COc1cc2c(-c3ccc(C(C)(C(N)=O)c4ccc(F)cc4)cc3)ncnc2cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.47
▸ KIT P10721 5/20 0.46
▸ PDE10A Q9Y233 1/20 0.45
▸ IRAK1 P51617 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ PDK1 Q15118 1/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ KDR P35968 2/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ PDGFRB P09619 1/20 0.41

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
SCHEMBL26102887 0.85 EGFR (0.53) EGFRKITIRAK4KDRPDGFRB
SCHEMBL26100134 0.84 KIT (0.46) EGFRKITPDE10AKDM1AKDR
SCHEMBL26098271 0.83 EGFR (0.46) EGFRKITIRAK1IRAK4PDK1
SCHEMBL26099903 0.82 EGFR (0.45) EGFRKITPDE10AIRAK1IRAK4
SCHEMBL26100658 0.81 EGFR (0.45) EGFRKITIRAK1IRAK4PDK1
SCHEMBL4725258 0.80 KDM1A (0.57) EGFRKITIRAK1IRAK4KDM1A
SCHEMBL26100111 0.79 EGFR (0.47) EGFRKITIRAK1IRAK4PDK1
SCHEMBL26098937 0.79 KIT (0.56) EGFRKITIRAK1IRAK4KDM1A
SCHEMBL30394612 0.78 EGFR (0.54) EGFRIRAK4KDRPDGFRB
SCHEMBL26099908 0.78 EGFR (0.54) EGFRKITIRAK4KDRPDGFRB

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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