SCHEMBL26100658

SCHEMBL26100658

COc1cc2c(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)ncnc2cc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.45
▸ IRAK4 Q9NWZ3 2/20 0.43
▸ IRAK1 P51617 1/20 0.43
▸ KIT P10721 3/20 0.43
▸ KDR P35968 2/20 0.42
▸ PDK1 Q15118 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ BRAF P15056 2/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ MAPK7 Q13164 1/20 0.41
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 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
SCHEMBL26100111 0.93 EGFR (0.47) EGFRIRAK4IRAK1KITKDR
SCHEMBL26102254 0.91 PDK1 (0.51) KITKDRPDK1BRAFRAF1
SCHEMBL26100799 0.91 PDK1 (0.51) KITKDRPDK1BRAFRAF1
SCHEMBL26099737 0.88 BRAF (0.46) IRAK4KITKDRBRAFRAF1
SCHEMBL26102835 0.87 KIT (0.43) EGFRIRAK4KITKDRBRAF
SCHEMBL30394282 0.87 KIT (0.43) EGFRIRAK4KITKDRBRAF
SCHEMBL26101857 0.85 KIT (0.42) EGFRKITKDRBRAFRAF1
SCHEMBL26098271 0.85 EGFR (0.46) EGFRIRAK4IRAK1KITKDR
SCHEMBL26100901 0.85 KDR (0.44) EGFRKITKDRPDK1BRAF
SCHEMBL26101918 0.84 MCHR1 (0.48) EGFRKITKDR

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
CN-118201909-A Quinazoline derivative compound and use thereof 株式会社沃若诺伊 2024-06-14 — — CN disclosed
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