SCHEMBL3795628

SCHEMBL3795628

CCCn1c(N)nc2cc(N(C)C(=O)O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ TLR8 Q9NR97 5/20 0.48
▸ ITK Q08881 7/20 0.44
▸ INSR P06213 3/20 0.44
▸ BACE1 P56817 5/20 0.42
▸ NUDT1 P36639 1/20 0.42
▸ TXK P42681 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3798908 0.90 POLB (0.51) POLBTLR8ITKINSRBACE1
SCHEMBL13076395 0.84 POLB (0.45) POLBTLR8ITKINSRBACE1
SCHEMBL3800016 0.83 TLR8 (0.55) POLBTLR8ITKBACE1NUDT1
SCHEMBL3797142 0.80 POLB (0.51) POLBTLR8ITKBACE1ALDH1A1
SCHEMBL19437515 0.76 KMT2A (0.63) POLBTLR8
SCHEMBL3791176 0.76 ITK (0.47) TLR8ITKINSRBACE1
SCHEMBL6023368 0.76 ITK (0.74) ITKINSRTXK
SCHEMBL3796469 0.76 POLB (0.52) POLBTLR8BACE1NUDT1
SCHEMBL6416240 0.75 ITK (0.61) ITKINSRTXK
SCHEMBL6417117 0.75 ITK (0.59) ITKINSRTXK

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-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 — — WO disclosed
Send feedback