SCHEMBL30394282

SCHEMBL30394282

COc1cc2c(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)ncnc2cc1OCCBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 5/20 0.43
▸ KDR P35968 4/20 0.43
▸ MAPK7 Q13164 1/20 0.41
▸ EGFR P00533 4/20 0.40
▸ BRAF P15056 3/20 0.40
▸ ENPP1 P22413 2/20 0.40
▸ RAF1 P04049 2/20 0.40
▸ AURKB Q96GD4 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 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
SCHEMBL26099737 0.92 BRAF (0.46) KITKDRMAPK7BRAFRAF1
SCHEMBL26102835 0.91 KIT (0.43) KITKDRMAPK7EGFRBRAF
SCHEMBL26101918 0.90 MCHR1 (0.48) KITKDREGFR
SCHEMBL26101857 0.89 KIT (0.42) KITKDREGFRBRAFRAF1
SCHEMBL26102229 0.89 EGFR (0.44) KITKDREGFRAURKBERBB2
SCHEMBL26100658 0.87 EGFR (0.45) KITKDRMAPK7EGFRBRAF
SCHEMBL26102268 0.86 KDR (0.53) KITKDREGFRAURKBFLT1
SCHEMBL26098888 0.86 CSF1R (0.43) KITKDRMAPK7EGFRBRAF
SCHEMBL26101171 0.86 CSF1R (0.43) KITKDRMAPK7EGFRBRAF
SCHEMBL26100901 0.86 KDR (0.44) KITKDRMAPK7EGFRBRAF

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
CN-118201909-A Quinazoline derivative compound and use thereof 株式会社沃若诺伊 2024-06-14 — — CN disclosed
WO-2023075529-A1 QUINAZOLINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2023-05-04 — — WO disclosed
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