SCHEMBL4590957

SCHEMBL4590957

Cc1c[nH]c(-c2ccc(F)cc2C#N)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.45
DHODH Q02127 1/20 0.38
GRM5 P41594 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
USP8 P40818 1/20 0.36
USP7 Q93009 1/20 0.36
USP47 Q96K76 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CHUK O15111 2/20 0.35
RAB9A P51151 1/20 0.35
ABL1 P00519 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
SCHEMBL4591503 0.86 HSP90AB1 (0.42) HSP90AB1CYP11B1CYP11B2USP8USP7
SCHEMBL2323777 0.84 PTGES (0.38) HSP90AB1
SCHEMBL4590941 0.84 MCL1 (0.39) HSP90AB1USP8USP7USP47
SCHEMBL3633331 0.84 KDM4E (0.41) HSP90AB1CHUK
SCHEMBL4591479 0.84 HSP90AB1 (0.34) HSP90AB1CYP11B1CYP11B2
SCHEMBL4591279 0.83 HSP90AB1 (0.35) HSP90AB1GRM5CYP11B1CYP11B2JAK2
SCHEMBL4591744 0.83 XDH (0.40) HSP90AB1DHODH
SCHEMBL4592503 0.81 PDE4B (0.42) HSP90AB1USP8PRMT5WDR77RAB9A
SCHEMBL4591549 0.80 DHODH (0.41) HSP90AB1DHODH
SCHEMBL4592321 0.80 TRPA1 (0.42) GRM5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311902-B Substituted imidazo [1,2-b ] pyridazines, imidazo [1,5-b ] pyridazines, related compounds, and uses thereof BIAL研发投资股份有限公司 2022-07-15 CN disclosed
CN-109311902-A Substituted imidazo [1,2-b] pyridazine, substituted imidazo [1,5-b] pyridazine, related compound and their purposes in treatment medical disorder 溶酶体治疗股份有限公司 2019-02-05 CN disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
EP-1828194-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
WO-2006063708-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed