SCHEMBL30979645

SCHEMBL30979645

Nc1ccc(Nc2nc(N3CCCC3)ncc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.58
▸ ROCK2 O75116 6/20 0.54
▸ ROCK1 Q13464 4/20 0.54
▸ BCL6 P41182 4/20 0.50
▸ HTR2C P28335 2/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ AURKA O14965 2/20 0.46
▸ PIK3CA P42336 2/20 0.44
▸ PDE4B Q07343 1/20 0.43

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
SCHEMBL28656366 0.80 BCL6 (0.66) SYKROCK2ROCK1BCL6
SCHEMBL17547519 0.79 ULK1 (0.53) SYKROCK2ROCK1BCL6
SCHEMBL657089 0.74 SYK (1.00) SYKAURKA
SCHEMBL23867516 0.74 POLB (0.53) BCL6PDE4B
SCHEMBL10187339 0.74 KDM4E (0.47) PIK3CA
SCHEMBL31513695 0.74 KDM4E (0.47) PIK3CA
SCHEMBL22909158 0.73 SYK (0.69) SYKBCL6AURKA
SCHEMBL4937858 0.73 SYK (0.97) SYKAURKA
Hydrochloric Acid SCHEMBL655563 0.73 SYK (0.97) SYKAURKA
SCHEMBL23867510 0.72 HRH3 (0.52) ROCK2ROCK1BCL6HTR2CAURKA

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
CN-118338898-A Small molecule inhibitors of oncogenic CHD1L with preclinical anti-colorectal cancer activity 科罗拉多州立大学董事会(法人团体) 2024-07-12 — — CN disclosed
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