SCHEMBL26100134

SCHEMBL26100134

COCCOc1cc2ncnc(-c3ccc(C(C)(C(N)=O)c4ccc(F)cc4)cc3)c2cc1OCCOC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 6/20 0.46
▸ PDGFRB P09619 2/20 0.44
▸ EGFR P00533 3/20 0.42
▸ RAF1 P04049 2/20 0.42
▸ BRAF P15056 2/20 0.42
▸ KDR P35968 5/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC9 Q9UKV0 2/20 0.41
▸ HDAC5 Q9UQL6 2/20 0.41
▸ FLT1 P17948 1/20 0.40

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
SCHEMBL26099906 0.84 EGFR (0.47) KITPDGFRBEGFRKDRPDE10A
SCHEMBL29238233 0.84 PDGFRB (0.50) KITPDGFRBEGFRRAF1BRAF
SCHEMBL26100129 0.80 KIT (0.43) KITEGFRKDRPDE10AKDM1A
SCHEMBL26101857 0.79 KIT (0.42) KITPDGFRBEGFRRAF1BRAF
SCHEMBL26099737 0.77 BRAF (0.46) KITRAF1BRAFKDRFLT1
SCHEMBL26100136 0.76 KIT (0.49) KITPDGFRBEGFRKDRHDAC3
SCHEMBL29986279 0.74 KDM1A (0.58) KITPDGFRBEGFRRAF1BRAF
SCHEMBL30394615 0.73 KDR (0.49) KITPDGFRBRAF1BRAFKDR
SCHEMBL29238333 0.73 KDR (0.49) KITPDGFRBRAF1BRAFKDR
SCHEMBL26100822 0.73 BRAF (0.43) KITRAF1BRAFKDRPDE10A

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
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