SCHEMBL26102638

SCHEMBL26102638

CCN1CCCC(COc2cc3ncnc(-c4ccc(C(C(N)=O)c5ccc(C(F)(F)F)nc5)cc4)c3cc2OC)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.41
▸ PDGFRB P09619 4/20 0.40
▸ KIT P10721 4/20 0.39
▸ CTSS P25774 1/20 0.39
▸ EGFR P00533 4/20 0.38
▸ FGFR1 P11362 3/20 0.38
▸ FLT1 P17948 3/20 0.38
▸ FLT4 P35916 3/20 0.38
▸ P2RX7 Q99572 1/20 0.37
▸ EPHA2 P29317 1/20 0.37
▸ EPHB4 P54760 1/20 0.37
▸ MAPK7 Q13164 1/20 0.37
▸ ERBB2 P04626 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL26101421 0.93 MAPK7 (0.43) KDRPDGFRBKITCTSSEGFR
SCHEMBL26101193 0.93 MAPK7 (0.43) KDRPDGFRBKITCTSSEGFR
SCHEMBL26101314 0.93 KIT (0.42) KDRPDGFRBKITEGFRFGFR1
SCHEMBL26103463 0.89 MAPK7 (0.44) KDRKITEGFRFLT1EPHA2
SCHEMBL26102560 0.88 EGFR (0.48) KDRPDGFRBKITEGFRFGFR1
SCHEMBL26102536 0.87 MAPK7 (0.41) KDRPDGFRBKITEGFRP2RX7
SCHEMBL26103289 0.87 KIT (0.43) KDRPDGFRBKITEGFRFGFR1
SCHEMBL26103479 0.86 EGFR (0.44) KDRKITEGFRFGFR1FLT1
SCHEMBL26099300 0.86 KDR (0.44) KDRPDGFRBKITEGFRFGFR1
SCHEMBL30891778 0.85 MAPK7 (0.45) KDRPDGFRBKITEGFRFGFR1

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 disclosed
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