SCHEMBL26101780

SCHEMBL26101780

CCN1CCC(COc2cc3ncnc(-c4ccc(C(Cc5ccccc5)C(N)=O)cc4)c3cc2OC)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 11/20 0.48
▸ EGFR P00533 6/20 0.46
▸ KDR P35968 1/20 0.43
▸ NSD2 O96028 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 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
SCHEMBL26102116 0.89 KIT (0.52) KITEGFRKDR
SCHEMBL26101777 0.87 EGFR (0.48) KITEGFRKDR
SCHEMBL26102914 0.85 KIT (0.49) KITEGFRKDR
SCHEMBL26101805 0.84 KIT (0.46) KITEGFRKDR
SCHEMBL30891778 0.82 MAPK7 (0.45) KITEGFRKDR
SCHEMBL26099862 0.82 MAPK7 (0.45) KITEGFRKDR
SCHEMBL26102800 0.81 HTR1A (0.45) KITEGFRKDR
SCHEMBL26101782 0.81 EGFR (0.52) KITEGFRKDR
SCHEMBL30394366 0.81 EGFR (0.52) KITEGFRKDR
SCHEMBL26099903 0.80 EGFR (0.45) KITEGFRKDR

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