SCHEMBL30050319

SCHEMBL30050319

COC(=O)c1cc(OC)cc(Oc2ncnc3cc(OC)c(OC)cc23)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.61
PDGFRA P16234 1/20 0.61
LCK P06239 1/20 0.61
BRAF P15056 2/20 0.58
RAF1 P04049 1/20 0.58
PDGFRB P09619 2/20 0.57
FLT4 P35916 2/20 0.57
CSF1R P07333 1/20 0.56
MET P08581 1/20 0.55
RET P07949 1/20 0.55
KIF5B P33176 1/20 0.55
EGFR P00533 1/20 0.52

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
SCHEMBL29317869 1.00 KDR (0.61) KDRPDGFRALCKBRAFRAF1
SCHEMBL2748037 0.82 KDR (0.62) KDRPDGFRABRAFRAF1PDGFRB
SCHEMBL30702346 0.80 KDR (0.64) KDRPDGFRABRAFRAF1PDGFRB
SCHEMBL29317879 0.79 SMN1; SMN2 (0.44) KDRPDGFRABRAFRAF1PDGFRB
SCHEMBL29317895 0.79 RAB9A (0.63) KDRPDGFRBFLT4
SCHEMBL14967551 0.77 KDR (0.67) KDRPDGFRALCKRAF1PDGFRB
SCHEMBL7480612 0.76 KDR (1.00) KDRPDGFRABRAFRAF1PDGFRB
SCHEMBL29318810 0.76 KDR (0.41) KDRPDGFRABRAFRAF1PDGFRB
SCHEMBL30051499 0.76 KDR (0.41) KDRPDGFRABRAFRAF1PDGFRB
SCHEMBL6179904 0.76 LCK (1.00) KDRPDGFRALCKBRAFRAF1

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
EP-4330233-A1 PHENYL -O-QUINOLINE, QUINAZOLINE, THIENOPYRIDINE, THIENOPYRIMIDINE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE COMPOUNDS HAVING ANTICANCER ACTIVITY Chengdu Anticancer Bioscience, Ltd. (CN) 2024-03-06 EP disclosed
WO-2022228549-A1 PHENYL -O-QUINOLINE, QUINAZOLINE, THIENOPYRIDINE, THIENOPYRIMIDINE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE COMPOUNDS HAVING ANTICANCER ACTIVITY Chengdu Anticancer Bioscience, Ltd. (CN) 2022-11-03 WO disclosed