SCHEMBL26135306

SCHEMBL26135306

COc1cc2c(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)ncnc2cc1OC1CNC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.45
▸ ERBB2 P04626 1/20 0.45
▸ MAPK7 Q13164 1/20 0.43
▸ KIT P10721 3/20 0.41
▸ KDR P35968 2/20 0.41
▸ BRAF P15056 2/20 0.39
▸ RAF1 P04049 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ SLC6A4 P31645 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37

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
SCHEMBL26101576 1.00 EGFR (0.45) EGFRERBB2MAPK7KITKDR
SCHEMBL26098994 0.94 EGFR (0.44) EGFRERBB2MAPK7KITKDR
SCHEMBL26100926 0.92 EGFR (0.47) EGFRERBB2MAPK7KITKDR
SCHEMBL26102740 0.90 EGFR (0.45) EGFRERBB2MAPK7KITKDR
SCHEMBL26103317 0.87 EGFR (0.48) EGFRERBB2MAPK7KITKDR
SCHEMBL26101745 0.87 SOS1 (0.45) EGFRERBB2MAPK7KDRPDE10A
SCHEMBL30393198 0.86 EGFR (0.50) EGFRERBB2MAPK7KITPDE10A
SCHEMBL26099028 0.86 EGFR (0.50) EGFRERBB2MAPK7KITPDE10A
SCHEMBL26101018 0.85 EGFR (0.47) EGFRERBB2MAPK7KITKDR
SCHEMBL26099076 0.85 MAPK7 (0.45) EGFRERBB2MAPK7KITKDR

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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