SCHEMBL25714869

SCHEMBL25714869

C=CC(=O)Nc1ccc(-c2c(-c3ccc(Oc4cccc(C)n4)cc3)c3c(N)ncnn3c2OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.47
▸ KIT P10721 3/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ INSR P06213 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ LYN P07948 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ MET P08581 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ SRC P12931 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
SCHEMBL30586220 0.89 BTK (0.45) KDRKITPLK4AURKADAPK3
SCHEMBL22676014 0.89 BTK (0.45) KDRKITPLK4AURKADAPK3
SCHEMBL25716910 0.88 KDR (0.46) KDRKITPLK4AURKADAPK3
SCHEMBL25715529 0.87 FLT3 (0.43) KDRKITPLK4AURKADAPK3
SCHEMBL25715613 0.87 KDR (0.45) KDRKITPLK4AURKADAPK3
SCHEMBL25715654 0.87 BTK (0.41) KDRKITPLK4AURKADAPK3
SCHEMBL25718205 0.86 BTK (0.44) BTKEGFRKCNH2MAP2K7TGM2
SCHEMBL22676843 0.85 BTK (0.47) KDRKITPLK4AURKADAPK3
SCHEMBL30303904 0.85 BTK (0.47) KDRKITPLK4AURKADAPK3
SCHEMBL25714848 0.85 KDR (0.46) KDRKITPLK4AURKADAPK3

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
WO-2023104035-A1 SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 英矽智能科技(上海)有限公司 2023-06-15 — — WO disclosed
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