SCHEMBL20008622

SCHEMBL20008622

C=N/C=C(\C=C(/C1CCCCC1)N1CCCCC1)c1cc(-c2ccnc(C(C)(C)C#N)c2)cnc1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 7/20 0.36
RAF1 P04049 11/20 0.33
BRAF P15056 11/20 0.33
DGAT2 Q96PD7 1/20 0.32
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 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
SCHEMBL20008433 0.75 PRMT5 (0.30)
SCHEMBL20009407 0.62 RAF1 (0.61) RAF1BRAF
SCHEMBL20008759 0.61 RAF1 (0.43) RAF1BRAF
SCHEMBL20008396 0.61 PIK3C3 (0.41) PIK3C3PIK3CD
SCHEMBL20008397 0.60 PIK3C3 (0.40) PIK3C3RAF1BRAF
SCHEMBL22562093 0.59 RAF1 (0.39) RAF1BRAF
SCHEMBL23654801 0.58 RAF1 (0.39) RAF1BRAF
SCHEMBL22562006 0.57
SCHEMBL22561910 0.55
SCHEMBL20009314 0.55 RAF1 (0.39) RAF1BRAF

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