SCHEMBL4795668

SCHEMBL4795668

COC(=O)Nc1cc(C(=O)c2ccnc(Cl)c2)cc(-c2cccc3[nH]ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.46
PIK3CD O00329 3/20 0.45
PIM1 P11309 2/20 0.45
PIK3CB P42338 2/20 0.45
GSK3B P49841 2/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45
FTO Q9C0B1 1/20 0.41
PLCG1 P19174 1/20 0.40
BRAF P15056 1/20 0.39
MCHR1 Q99705 1/20 0.39
ROCK2 O75116 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39

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
SCHEMBL3927726 0.95 HPGDS (0.44) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL3928756 0.91 HPGDS (0.46) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL4796842 0.90 HPGDS (0.46) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL4794385 0.90 HPGDS (0.45) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL4793442 0.90 HPGDS (0.45) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL3928173 0.86 PIP4K2A (0.53) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL3933459 0.85 HPGDS (0.48) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL3929384 0.85 HPGDS (0.43) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL3937422 0.85 HPGDS (0.43) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL3928176 0.85 HPGDS (0.51) HPGDSPIK3CDPIM1PIK3CBGSK3B

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-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed