SCHEMBL4427889

SCHEMBL4427889

Cc1nccn1C(C)c1cn(-c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.43
KCNH2 Q12809 11/20 0.42
IDH1 O75874 1/20 0.33

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
SCHEMBL4425073 0.76 NOTUM (0.50) NOTUMKCNH2IDH1
SCHEMBL19402304 0.76 NOTUM (0.47) NOTUMKCNH2IDH1
SCHEMBL10900906 0.68 ALDH1A1 (0.51) NOTUMKCNH2
SCHEMBL16046407 0.65 IDH1 (0.44) NOTUMKCNH2IDH1
SCHEMBL30946872 0.65 DYRK1A (0.40)
SCHEMBL27285378 0.65 DYRK1A (0.40)
SCHEMBL16043774 0.65 IDH1 (0.44) NOTUMKCNH2IDH1
SCHEMBL3426673 0.65 NOTUM (0.52) NOTUM
SCHEMBL27906474 0.65 NOTUM (0.49) NOTUM
SCHEMBL27284757 0.65 LMNA (0.38)

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-1358165-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-03-11 EP disclosed