SCHEMBL25715748

SCHEMBL25715748

COc1c(-c2ccc(N)cc2)c(-c2ccc(C(=O)NCC3(F)CCC3)cc2)c2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ RPS6KB1 P23443 2/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ INSR P06213 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ MET P08581 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ FGFR1 P11362 1/20 0.38

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
SCHEMBL25715750 0.88 KDR (0.41) RPS6KB1PLK4AURKADAPK3ROCK2
SCHEMBL25715746 0.81 PIK3CD (0.40) TP53RIPK1MEN1KMT2APIK3CD
SCHEMBL25715685 0.77 PIK3CD (0.43) RPS6KB1PLK4AURKADAPK3ROCK2
SCHEMBL25715707 0.76 F2 (0.49) RPS6KB1PLK4AURKADAPK3ROCK2
SCHEMBL25715555 0.68 SRC (0.41) POLBRPS6KB1PLK4AURKADAPK3
SCHEMBL25715683 0.66 HPGD (0.43) RPS6KB1PLK4AURKADAPK3ROCK2
SCHEMBL31213973 0.66 RPS6KB1 (0.31) RPS6KB1PLK4AURKADAPK3ROCK2
SCHEMBL25715611 0.64 TNK2 (0.38) RPS6KB1PLK4AURKADAPK3ROCK2
SCHEMBL25714868 0.64 KDR (0.39) RPS6KB1PLK4AURKADAPK3ROCK2
SCHEMBL22677099 0.62 RIPK1 (0.37) RPS6KB1PLK4AURKADAPK3ROCK2

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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