SCHEMBL26102144

SCHEMBL26102144

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.46
▸ KIT P10721 5/20 0.43
▸ ENPP1 P22413 3/20 0.43
▸ KDR P35968 4/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ RET P07949 1/20 0.41
▸ KIF5B P33176 1/20 0.41

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
SCHEMBL26100098 0.91 EGFR (0.56) EGFRKITKDRFGFR1FLT1
SCHEMBL26101805 0.89 KIT (0.46) EGFRKITENPP1KDRFGFR1
SCHEMBL26099430 0.87 KIT (0.48) EGFRKITENPP1KDRFGFR1
SCHEMBL26098297 0.86 EGFR (0.51) EGFRKITENPP1KDRFGFR1
SCHEMBL26135248 0.84 KDR (0.46) EGFRKITENPP1KDRFLT4
SCHEMBL26101865 0.84 KDR (0.45) EGFRKITENPP1KDRFGFR1
SCHEMBL26535443 0.83 PDGFRB (0.47) EGFRKITENPP1KDRFLT4
SCHEMBL30891776 0.83 PDGFRB (0.47) EGFRKITENPP1KDRFLT4
SCHEMBL30891794 0.81 PDGFRB (0.45) EGFRKITENPP1KDRFLT4
SCHEMBL26135777 0.81 PDGFRB (0.45) EGFRKITENPP1KDRFLT4

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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