SCHEMBL25715809

SCHEMBL25715809

COc1cc(OC)c(F)c(C#Cc2c(-c3ccc(N)cc3)c(OC)n3ncnc(N)c23)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 8/20 0.36
▸ ACVRL1 P37023 3/20 0.34
▸ TNK2 Q07912 3/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ LYN P07948 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ MET P08581 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ PIM1 P11309 1/20 0.34

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
SCHEMBL25715810 0.83 FGFR1 (0.42) PLK4AURKADAPK3ROCK2PAK4
SCHEMBL25715833 0.82 ADK (0.39) TNK2PLK4AURKADAPK3ROCK2
SCHEMBL25715807 0.82 ACVRL1 (0.34) PIK3CDACVRL1TNK2FGFR1FGFR3
SCHEMBL23337779 0.74 FGFR1 (0.34) PIK3CDACVRL1TNK2FGFR1FGFR3
SCHEMBL23861738 0.72 AURKB (0.36) PIK3CDAURKAABL1NTRK1LCK
SCHEMBL25557835 0.70 FGFR1 (0.33) PIK3CDACVRL1ABL1FGFR1
SCHEMBL25715555 0.70 SRC (0.41) TNK2PLK4AURKADAPK3ROCK2
SCHEMBL25715486 0.69 FGFR1 (0.44) ACVRL1TNK2PLK4AURKADAPK3
SCHEMBL25715515 0.69 FGFR1 (0.62) FGFR1FGFR3
SCHEMBL22696564 0.65 RIPK1 (0.37) TNK2PLK4AURKADAPK3ROCK2

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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