SCHEMBL30702333

SCHEMBL30702333

COc1cc(CC(N)=O)cc(Oc2ccnc3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DDR2 Q16832 1/20 0.50
▸ MET P08581 7/20 0.47
▸ KDR P35968 4/20 0.47
▸ AURKA O14965 3/20 0.47
▸ TEK Q02763 3/20 0.47
▸ AURKB Q96GD4 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ PDGFRA P16234 2/20 0.42
▸ KIT P10721 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
SCHEMBL30702337 0.89 DDR2 (0.64) DDR2METKDRAURKATEK
SCHEMBL30702345 0.86 PDGFRA (0.58) METKDRAURKATEKAURKB
SCHEMBL30702360 0.86 DDR2 (0.55) DDR2METKDRAURKATEK
SCHEMBL30702367 0.86 DDR2 (0.53) DDR2METKDRAURKATEK
SCHEMBL29186588 0.86 DDR2 (0.53) DDR2METKDRAURKATEK
SCHEMBL30702344 0.86 DDR2 (0.53) DDR2METKDRAURKATEK
SCHEMBL30702339 0.86 DDR2 (0.53) DDR2METKDRAURKATEK
SCHEMBL29186566 0.86 DDR2 (0.53) DDR2METKDRAURKATEK
SCHEMBL29317823 0.84 DDR2 (0.54) DDR2PDGFRA
SCHEMBL30702362 0.83 DDR2 (0.50) DDR2METKDRKDM4EABL1

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-117321036-A phenyl-O-quinoline, quinazoline, thienopyridine, thienopyrimidine, pyrrolopyridine, pyrrolopyrimidine compounds having anticancer activity 成都安泰康赛生物科技有限公司 2023-12-29 — — CN disclosed
Send feedback