SCHEMBL16215664

SCHEMBL16215664

C1=C(c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)NNN1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.72
ACHE P22303 15/20 0.72

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
SCHEMBL1893595 0.84 CHEK1 (0.73) CHEK1ACHE
SCHEMBL1895294 0.83 CHEK1 (1.00) CHEK1ACHE
SCHEMBL12666778 0.83 CHEK1 (1.00) CHEK1ACHE
SCHEMBL12666787 0.83 CHEK1 (0.82) CHEK1ACHE
SCHEMBL1893355 0.83 CHEK1 (1.00) CHEK1ACHE
SCHEMBL12666786 0.83 CHEK1 (1.00) CHEK1ACHE
SCHEMBL12666784 0.82 CHEK1 (1.00) CHEK1ACHE
SCHEMBL1428001 0.82 CHEK1 (0.76) CHEK1ACHE
SCHEMBL1895256 0.81 CHEK1 (0.74) CHEK1ACHE
SCHEMBL1891090 0.81 CHEK1 (1.00) CHEK1ACHE

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
EP-2300475-B1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH INC (US) 2014-11-05 EP disclosed