SCHEMBL20008403

SCHEMBL20008403

Cc1cnc(C)c(C(=N)/C=C(\c2ncc[nH]2)N2CCCCC2)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 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
SCHEMBL20009832 0.67
SCHEMBL20008286 0.65
SCHEMBL2424622 0.61 HTT (0.49)
SCHEMBL20008405 0.61 OPRK1 (0.32) PIK3C3
SCHEMBL20008321 0.60 OPRK1 (0.32) PIK3C3
SCHEMBL24080970 0.60 NOS3 (0.42) PIK3C3
SCHEMBL30636902 0.60 HTT (0.50)
SCHEMBL20008573 0.59
SCHEMBL5163581 0.59 SMN1; SMN2 (0.39)
SCHEMBL31165542 0.57 HTT (0.39)

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed