SCHEMBL2231879

SCHEMBL2231879

CC(C)(C)N(C(=O)O)[C@H]1CCCN(c2c(F)cnc3cnc(Cl)cc23)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 11/20 0.40
MAPT P10636 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
MELK Q14680 3/20 0.32
ADRB2 P07550 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BTK Q06187 1/20 0.31

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
SCHEMBL28790211 0.86 CYP8B1 (0.38) CYP8B1MAPTFFAR4MELKMEN1
SCHEMBL12367226 0.78 ADRB2 (0.42) CYP8B1MAPTADRB2MEN1KMT2A
SCHEMBL2205071 0.77 BTK (0.52) MEN1KMT2ABTK
SCHEMBL28790212 0.77 MEN1 (0.37) CYP8B1MAPTMELKMEN1KMT2A
SCHEMBL20445960 0.70 CHRM5 (0.38) MEN1KMT2A
SCHEMBL22829714 0.70 ALDH1A1 (0.42) CYP8B1MAPTMEN1KMT2A
SCHEMBL1318206 0.69 LMNA (0.48) MAPTKMT2A
SCHEMBL1322166 0.69 LMNA (0.48) MAPTKMT2A
SCHEMBL22499812 0.68 ACACB (0.40)
SCHEMBL22499813 0.68 ACACB (0.40)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342190-A1 BICYCLIC KINASE INHIBITORS Novartis AG (CH) 2011-07-13 EP disclosed
WO-2010026121-A1 BICYCLIC KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed