SCHEMBL25715685

SCHEMBL25715685

COc1c(-c2ccc(N)cc2)c(-c2ccc(C(=O)N3CCCC3)cc2)c2c(N)ncnn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 5/20 0.43
▸ HPGD P15428 6/20 0.43
▸ PLK4 O00444 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ MET P08581 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ FGFR1 P11362 1/20 0.41

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
SCHEMBL25715683 0.88 HPGD (0.43) PIK3CDHPGDPLK4AURKADAPK3
SCHEMBL25715673 0.86 CDK2 (0.45) PLK4AURKADAPK3ROCK2PAK4
SCHEMBL25715682 0.78 PIK3CD (0.48) PIK3CDHPGDABL1GSK3AGSK3B
SCHEMBL25715748 0.77 POLB (0.41) PIK3CDPLK4AURKADAPK3ROCK2
SCHEMBL25715707 0.76 F2 (0.49) PLK4AURKADAPK3ROCK2PAK4
SCHEMBL25715555 0.74 SRC (0.41) HPGDPLK4AURKADAPK3ROCK2
SCHEMBL22676848 0.71 PLK4 (0.41) PIK3CDHPGDPLK4AURKADAPK3
SCHEMBL25714868 0.70 KDR (0.39) HPGDPLK4AURKADAPK3ROCK2
SCHEMBL25715611 0.70 TNK2 (0.38) PLK4AURKADAPK3ROCK2PAK4
SCHEMBL264516 0.69 HPGD (0.76) HPGDMAPK1KDM4EL3MBTL1ALDH1A1

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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