SCHEMBL26100098

SCHEMBL26100098

COc1cc2c(-c3ccc(CC(N)=O)cc3)ncnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.56
▸ KIT P10721 4/20 0.53
▸ KDR P35968 6/20 0.52
▸ FGFR1 P11362 2/20 0.52
▸ FLT1 P17948 2/20 0.52
▸ FLT4 P35916 2/20 0.52
▸ SRC P12931 2/20 0.50
▸ RET P07949 2/20 0.50
▸ KIF5B P33176 2/20 0.50
▸ BMPR1B O00238 1/20 0.50
▸ PLK4 O00444 1/20 0.50
▸ CIT O14578 1/20 0.50
▸ GAK O14976 1/20 0.50
▸ EPHB6 O15197 1/20 0.50
▸ RIPK2 O43353 1/20 0.50
▸ ROCK2 O75116 1/20 0.50
▸ STK10 O94804 1/20 0.50
▸ MAP4K4 O95819 1/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ ERBB2 P04626 1/20 0.50

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
SCHEMBL26101805 0.91 KIT (0.46) EGFRKITKDRFGFR1FLT1
SCHEMBL26099430 0.91 KIT (0.48) EGFRKITKDRFGFR1FLT1
SCHEMBL26102144 0.91 EGFR (0.46) EGFRKITKDRFGFR1FLT1
SCHEMBL26098297 0.89 EGFR (0.51) EGFRKITKDRFGFR1FLT1
SCHEMBL30393893 0.86 EGFR (0.64) EGFRKITKDRFGFR1FLT1
SCHEMBL26101865 0.86 KDR (0.45) EGFRKITKDRFGFR1FLT1
SCHEMBL26101960 0.84 KDR (0.54) EGFRKITKDRFLT4RET
SCHEMBL26100102 0.84 EGFR (0.62) EGFRKITKDR
Trifluoroacetic Acid SCHEMBL26099219 0.84 EGFR (0.57) EGFRKITKDRFGFR1FLT1
SCHEMBL29238264 0.83 KDR (0.53) 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
WO-2023075529-A1 QUINAZOLINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2023-05-04 — — WO disclosed
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