SCHEMBL14375488

SCHEMBL14375488

CCOc1cc(C)n(C(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.42
PDE1A P54750 8/20 0.35
PDE1B Q01064 8/20 0.35
PDE1C Q14123 8/20 0.35
SRC P12931 5/20 0.35
HTT P42858 1/20 0.33
ABL1 P00519 4/20 0.33
HCK P08631 3/20 0.33
TSHR P16473 1/20 0.33
EGFR P00533 3/20 0.32
PIK3CD O00329 2/20 0.32
KDR P35968 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
MTOR P42345 2/20 0.32
PIK3CG P48736 2/20 0.32
EPHB4 P54760 2/20 0.32
PRKDC P78527 2/20 0.32
PI4KB Q9UBF8 2/20 0.32
LCK P06239 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
SCHEMBL17658859 0.84 TSHR (0.34) MPOSRCABL1TSHR
SCHEMBL21241140 0.75 HTT (0.36) HTT
SCHEMBL20284327 0.73 ALDH1A1 (0.39) SRCTSHR
SCHEMBL20284331 0.73 MPO (0.36) MPOSRCHTT
SCHEMBL9974272 0.71 MPO (0.32) MPO
SCHEMBL20284329 0.71 SRC (0.41) MPOSRCTSHRPIK3CA
SCHEMBL9941672 0.69 CYP1A2 (0.45)
SCHEMBL2622408 0.69 LMNA (0.40) TSHR
SCHEMBL19557941 0.68 NOS3 (0.35) MPO
SCHEMBL12419716 0.67 NOS3 (0.34) PDE1APDE1BPDE1C

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
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed