SCHEMBL30891798

SCHEMBL30891798

COc1cc2c(-c3ccccc3C(=O)O)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.61
KDR P35968 15/20 0.61
KIT P10721 3/20 0.55
EHMT2 Q96KQ7 1/20 0.51
EHMT1 Q9H9B1 1/20 0.51
AURKA O14965 2/20 0.51
ERBB2 P04626 2/20 0.51
PDGFRB P09619 2/20 0.51
FLT4 P35916 2/20 0.51
TEK Q02763 2/20 0.51
AURKB Q96GD4 2/20 0.51
RET P07949 1/20 0.51
KIF5B P33176 1/20 0.51

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
SCHEMBL30891764 0.84 KDR (0.59) EGFRKDRKITAURKAERBB2
SCHEMBL26099266 0.84 KDR (0.59) EGFRKDRKITAURKAERBB2
SCHEMBL30891780 0.82 KDR (0.53) EGFRKDRKITAURKAPDGFRB
SCHEMBL26101960 0.78 KDR (0.54) EGFRKDRKITEHMT2EHMT1
SCHEMBL30891810 0.78 KDR (0.55) EGFRKDRKITEHMT2EHMT1
SCHEMBL19258107 0.78 KDR (0.73) EGFRKDRKITAURKAERBB2
SCHEMBL26101967 0.78 KDR (0.55) EGFRKDRKITEHMT2EHMT1
SCHEMBL31137829 0.77 KDR (0.57) EGFRKDRKITAURKAERBB2
SCHEMBL26098307 0.77 KDR (0.57) EGFRKDRKITAURKAERBB2
SCHEMBL26101510 0.77 KDR (0.53) EGFRKDRKITAURKAERBB2

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
CN-118201909-A Quinazoline derivative compound and use thereof 株式会社沃若诺伊 2024-06-14 CN disclosed