SCHEMBL25716909

SCHEMBL25716909

C=CC(=O)Nc1ccc(-c2c(-c3ccc(N4CCCC4)c(F)c3)c3c(N)ncnn3c2OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 4/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ MAPK9 P45984 2/20 0.42
▸ RPS6KA3 P51812 2/20 0.42
▸ FGFR3 P22607 2/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ MET P08581 1/20 0.42

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
SCHEMBL25715673 0.83 CDK2 (0.45) FGFR1FLT3MAPK9RPS6KA3FGFR3
SCHEMBL25715556 0.81 KDR (0.46) FGFR1FLT3MAPK9RPS6KA3FGFR3
SCHEMBL25715487 0.81 FGFR1 (0.52) FGFR1FLT3MAPK9RPS6KA3FGFR3
SCHEMBL25716911 0.79 KDR (0.44) FGFR1FLT3MAPK9RPS6KA3FGFR3
SCHEMBL25715750 0.77 KDR (0.41) FGFR1FLT3MAPK9RPS6KA3FGFR3
SCHEMBL30325723 0.76 GAK (0.38) SRCDYRK1ANSD2BTKERBB2
SCHEMBL25715810 0.76 FGFR1 (0.42) FGFR1FLT3MAPK9RPS6KA3FGFR3
SCHEMBL25714869 0.75 KDR (0.47) FGFR1FLT3MAPK9RPS6KA3FGFR3
SCHEMBL25715709 0.75 BTK (0.48) FGFR1FLT3MAPK9RPS6KA3FGFR3
SCHEMBL25715613 0.75 KDR (0.45) FGFR1FLT3MAPK9RPS6KA3FGFR3

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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