SCHEMBL26102835

SCHEMBL26102835

COc1cc2c(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)ncnc2cc1OCCCCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 3/20 0.43
▸ KDR P35968 5/20 0.43
▸ MAPK7 Q13164 1/20 0.41
▸ FLT1 P17948 2/20 0.40
▸ FLT4 P35916 2/20 0.40
▸ BRAF P15056 3/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ EGFR P00533 5/20 0.40
▸ HDAC3 O15379 4/20 0.40
▸ HDAC4 P56524 4/20 0.40
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC7 Q8WUI4 4/20 0.40
▸ HDAC2 Q92769 4/20 0.40
▸ HDAC10 Q969S8 4/20 0.40
▸ HDAC11 Q96DB2 4/20 0.40
▸ HDAC8 Q9BY41 4/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ HDAC9 Q9UKV0 4/20 0.40
▸ HDAC5 Q9UQL6 4/20 0.40
▸ ERBB2 P04626 2/20 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
SCHEMBL26099737 0.92 BRAF (0.46) KITKDRMAPK7FLT1BRAF
SCHEMBL30394282 0.91 KIT (0.43) KITKDRMAPK7FLT1FLT4
SCHEMBL26101857 0.89 KIT (0.42) KITKDRBRAFEGFRRAF1
SCHEMBL26102229 0.89 EGFR (0.44) KITKDREGFRERBB2AURKB
SCHEMBL26101918 0.88 MCHR1 (0.48) KITKDREGFR
SCHEMBL26102268 0.88 KDR (0.53) KITKDRFLT1FLT4EGFR
SCHEMBL26098888 0.87 CSF1R (0.43) KITKDRMAPK7FLT1FLT4
SCHEMBL26101171 0.87 CSF1R (0.43) KITKDRMAPK7FLT1FLT4
SCHEMBL26100658 0.87 EGFR (0.45) KITKDRMAPK7BRAFEGFR
SCHEMBL26101243 0.86 EGFR (0.54) KITKDRBRAFEGFRHDAC1

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 1 patent. 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
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