SCHEMBL20008396

SCHEMBL20008396

C=C/C=C(\C=C(/N(C)C)N1CCCCC1)c1cc(-c2ccnc(C3CC3)c2)cnc1C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 18/20 0.41
PIK3CD O00329 1/20 0.32

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
SCHEMBL20008405 0.70 OPRK1 (0.32) PIK3C3
SCHEMBL20008622 0.61 PIK3C3 (0.36) PIK3C3PIK3CD
SCHEMBL20008251 0.60 PIK3C3 (0.40) PIK3C3PIK3CD
SCHEMBL20008287 0.60 RAF1 (0.44) PIK3C3PIK3CD
SCHEMBL16926401 0.58 PIK3C3 (1.00) PIK3C3
SCHEMBL20009417 0.58 RAF1 (0.42) PIK3C3PIK3CD
SCHEMBL21952241 0.57 KDM4A (0.30)
SCHEMBL16926752 0.56 PIK3C3 (1.00) PIK3C3
SCHEMBL20008321 0.55 OPRK1 (0.32) PIK3C3
SCHEMBL16996858 0.55 PIK3C3 (1.00) PIK3C3

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