SCHEMBL26100129

SCHEMBL26100129

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 7/20 0.43
▸ KDR P35968 3/20 0.43
▸ EGFR P00533 6/20 0.41
▸ HDAC3 O15379 5/20 0.41
▸ HDAC4 P56524 5/20 0.41
▸ HDAC1 Q13547 5/20 0.41
▸ HDAC7 Q8WUI4 5/20 0.41
▸ HDAC2 Q92769 5/20 0.41
▸ HDAC10 Q969S8 5/20 0.41
▸ HDAC11 Q96DB2 5/20 0.41
▸ HDAC8 Q9BY41 5/20 0.41
▸ HDAC6 Q9UBN7 5/20 0.41
▸ HDAC9 Q9UKV0 5/20 0.41
▸ HDAC5 Q9UQL6 5/20 0.41
▸ ERBB2 P04626 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ CAMKK1 Q8N5S9 1/20 0.38
▸ CAMKK2 Q96RR4 1/20 0.38
▸ AXL P30530 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
SCHEMBL26099903 0.86 EGFR (0.45) KITKDREGFRHDAC3HDAC4
SCHEMBL26100134 0.80 KIT (0.46) KITKDREGFRHDAC3HDAC4
SCHEMBL26100136 0.79 KIT (0.49) KITKDREGFRHDAC3HDAC4
SCHEMBL26101857 0.78 KIT (0.42) KITKDREGFR
SCHEMBL26099737 0.76 BRAF (0.46) KITKDR
SCHEMBL26098887 0.75 KDR (0.47) KITKDREGFRHDAC3HDAC4
SCHEMBL30393191 0.75 KDR (0.47) KITKDREGFRHDAC3HDAC4
SCHEMBL29238233 0.74 PDGFRB (0.50) KITKDREGFRHDAC3HDAC4
SCHEMBL26100822 0.74 BRAF (0.43) KITKDRPDE10A
SCHEMBL26102116 0.73 KIT (0.52) KITKDREGFRAXL

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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