SCHEMBL26102800

SCHEMBL26102800

CCN1CCC(COc2cc3ncnc(-c4ccc(C(C(N)=O)c5cccc(C(F)(F)F)c5)cc4)c3cc2OC)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ KIT P10721 2/20 0.41
▸ EGFR P00533 9/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ KDR P35968 2/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ MAPK7 Q13164 1/20 0.39
▸ ENPP1 P22413 2/20 0.38
▸ CFD P00746 1/20 0.37

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
SCHEMBL30891778 0.94 MAPK7 (0.45) HTR1AHTR7KITEGFRAURKB
SCHEMBL26099862 0.94 MAPK7 (0.45) HTR1AHTR7KITEGFRAURKB
SCHEMBL26103463 0.90 MAPK7 (0.44) HTR1AHTR7KITEGFRKDR
SCHEMBL26099840 0.90 EGFR (0.43) HTR1AHTR7KITEGFRAURKA
SCHEMBL26099835 0.89 KDR (0.40) KITEGFRAURKBKDRENPP1
SCHEMBL26101314 0.88 KIT (0.42) KITEGFRAURKBKDRSLC2A1
SCHEMBL30394062 0.86 EGFR (0.49) KITEGFRAURKBKDRSLC2A1
SCHEMBL26101933 0.86 EGFR (0.49) KITEGFRAURKBKDRSLC2A1
SCHEMBL26100179 0.86 KIT (0.44) HTR1AHTR7KITEGFRAURKA
SCHEMBL26101193 0.86 MAPK7 (0.43) HTR1AHTR7KITEGFRKDR

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 disclosed
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