SCHEMBL26101653

SCHEMBL26101653

COc1cc2c(-c3ccc(C=CCC(N)=O)cc3)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.51
EGFR P00533 15/20 0.51
EHMT2 Q96KQ7 2/20 0.48
EHMT1 Q9H9B1 2/20 0.48
RET P07949 1/20 0.48
KIF5B P33176 1/20 0.48
KIT P10721 1/20 0.48
FLT4 P35916 3/20 0.47
AURKA O14965 2/20 0.47
PDGFRB P09619 2/20 0.47
TEK Q02763 2/20 0.47
AURKB Q96GD4 2/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
ERBB2 P04626 1/20 0.47

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
SCHEMBL26101960 0.86 KDR (0.54) KDREGFREHMT2EHMT1RET
SCHEMBL26101506 0.85 KDR (0.53) KDREGFREHMT2EHMT1RET
SCHEMBL26101510 0.84 KDR (0.53) KDREGFRRETKIF5BKIT
SCHEMBL30891764 0.84 KDR (0.59) KDREGFRRETKIF5BKIT
SCHEMBL26099266 0.84 KDR (0.59) KDREGFRRETKIF5BKIT
SCHEMBL26101967 0.83 KDR (0.55) KDREGFREHMT2EHMT1RET
SCHEMBL30891810 0.83 KDR (0.55) KDREGFREHMT2EHMT1RET
Hydrochloric Acid SCHEMBL30394719 0.82 KDR (0.56) KDREGFREHMT2EHMT1RET
Hydrochloric Acid SCHEMBL26101705 0.82 KDR (0.56) KDREGFREHMT2EHMT1RET
SCHEMBL26101656 0.82 EGFR (0.51) KDREGFRRETKIF5BKIT

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