SCHEMBL26100136

SCHEMBL26100136

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 7/20 0.49
▸ PDGFRB P09619 4/20 0.46
▸ CSF1R P07333 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ HDAC3 O15379 7/20 0.44
▸ HDAC1 Q13547 7/20 0.44
▸ HDAC6 Q9UBN7 7/20 0.44
▸ HDAC4 P56524 6/20 0.44
▸ HDAC7 Q8WUI4 6/20 0.44
▸ HDAC2 Q92769 6/20 0.44
▸ HDAC10 Q969S8 6/20 0.44
▸ HDAC11 Q96DB2 6/20 0.44
▸ HDAC8 Q9BY41 6/20 0.44
▸ HDAC9 Q9UKV0 6/20 0.44
▸ HDAC5 Q9UQL6 6/20 0.44
▸ EGFR P00533 4/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ KDR P35968 5/20 0.44

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
SCHEMBL26099908 0.85 EGFR (0.54) KITPDGFRBCSF1RHDAC3HDAC1
SCHEMBL29238233 0.81 PDGFRB (0.50) KITPDGFRBHDAC3HDAC1HDAC6
SCHEMBL26100129 0.79 KIT (0.43) KITHDAC3HDAC1HDAC6HDAC4
SCHEMBL26100134 0.76 KIT (0.46) KITPDGFRBHDAC3HDAC1HDAC6
SCHEMBL30394615 0.74 KDR (0.49) KITPDGFRBCSF1RHDAC1KDR
SCHEMBL29238333 0.74 KDR (0.49) KITPDGFRBCSF1RHDAC1KDR
SCHEMBL26101857 0.73 KIT (0.42) KITPDGFRBEGFRKDR
SCHEMBL29238215 0.72 KDR (0.54) KITPDGFRBCSF1RFLT3HDAC1
SCHEMBL30394611 0.72 KDR (0.54) KITPDGFRBCSF1RFLT3HDAC1
SCHEMBL30394637 0.71 KDR (0.55) PDGFRBCSF1RFLT3HDAC3HDAC1

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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