SCHEMBL19861773

SCHEMBL19861773

CC(C)(C)C(=O)OCCCCn1c(CN2CN(C3CC3)c3ccncc32)nc2nc(Cl)ccc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL9978068 0.81 CYP3A4 (0.53) CYP3A4
SCHEMBL19861720 0.80 BCHE (0.31)
SCHEMBL9977937 0.76 SMN1; SMN2 (0.40) TP53POLBSMN1; SMN2MAPT
SCHEMBL19861780 0.73
SCHEMBL9978077 0.69 MAPT (0.38) TP53POLBSMN1; SMN2MAPT
SCHEMBL27920618 0.69 CYP3A4 (0.41) CYP3A4
SCHEMBL16553288 0.68 CYP3A4 (0.44) CYP3A4
SCHEMBL15908556 0.68
SCHEMBL9940768 0.66 CYP3A4 (0.55) CYP3A4
SCHEMBL27920798 0.66 CYP3A4 (0.30) CYP3A4

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
US-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 US disclosed