SCHEMBL2269504

SCHEMBL2269504

Cn1cc(-n2ccc(=O)c(Cc3cccc(N(CCC(F)(F)F)C(=O)O)c3)n2)cn1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.34
BRD4 O60885 1/20 0.34
ENPP2 Q13822 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM1 P11229 1/20 0.31
GSK3B P49841 2/20 0.31
DYRK1A Q13627 2/20 0.31
PDE10A Q9Y233 1/20 0.30
MET P08581 2/20 0.30
ESR1 P03372 1/20 0.30
CYP19A1 P11511 1/20 0.30
ESR2 Q92731 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
SCHEMBL2263325 0.92 ENPP2 (0.33) ENPP2MEN1KMT2A
SCHEMBL2361416 0.92 ENPP2 (0.34) CREBBPBRD4ENPP2MEN1KMT2A
SCHEMBL2334239 0.91 ENPP2 (0.34) CREBBPENPP2MEN1KMT2ACHRM1
SCHEMBL2272785 0.90 ENPP2 (0.35) ENPP2MEN1KMT2APDE10AMET
SCHEMBL2221804 0.90 ENPP2 (0.35) ENPP2MEN1KMT2APDE10AMET
SCHEMBL13275446 0.88 RAB9A (0.37) ENPP2MEN1KMT2ACHRM1PDE10A
SCHEMBL2221942 0.88 ENPP2 (0.35) ENPP2MEN1KMT2APDE10AMET
SCHEMBL13507143 0.87 ENPP2 (0.33) ENPP2MEN1KMT2A
SCHEMBL2221339 0.87 IGF1R (0.33) ENPP2MEN1KMT2APDE10AMET
SCHEMBL2272546 0.87 ENPP2 (0.33) ENPP2MEN1KMT2AMET

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
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed