SCHEMBL20009447

SCHEMBL20009447

CNc1cnc(C)c(C(=C/NC=O)/C=C(\C)N2CCCCC2)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
PIK3C3 Q8NEB9 2/20 0.32
GAA P10253 1/20 0.31
OPRK1 P41145 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL20008394 0.90 RAB9A (0.33) ALDH1A1GAA
SCHEMBL20008179 0.89 MAPT (0.31) MAPT
SCHEMBL20009507 0.89 MAPT (0.33) MAPTUSP2ALDH1A1LMNAALOX12
SCHEMBL20008388 0.79 KDM4E (0.31)
SCHEMBL20008522 0.78 MAPT (0.30) MAPT
SCHEMBL20008321 0.77 OPRK1 (0.32) MAPTUSP2ALDH1A1LMNAALOX12
SCHEMBL20009505 0.76
SCHEMBL20008173 0.76
SCHEMBL20008379 0.74
SCHEMBL20008383 0.73 MAPT (0.38) MAPTALDH1A1GAA

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