SCHEMBL2933952

SCHEMBL2933952

CCC(CC)c1cc(C)nc2c(-c3sc(N4CC[C@H](N)C4)nc3C(F)(F)F)c(C)nn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.34
LMNA P02545 2/20 0.34
CRHR1 P34998 3/20 0.33
CRHR2 Q13324 1/20 0.33
KDM4E B2RXH2 4/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GRM8 O00222 1/20 0.32
CYP1A2 P05177 1/20 0.32
GRM7 Q14831 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 3/20 0.31
MAPK1 P28482 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
SMPD3 Q9NY59 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 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
SCHEMBL2933954 1.00 HPGD (0.34) HPGDLMNACRHR1CRHR2KDM4E
SCHEMBL2932900 0.84 CRHR1 (0.47) HPGDLMNACRHR1CRHR2KDM4E
SCHEMBL2495432 0.81 POLB (0.40) HPGDLMNACRHR1KDM4EPOLB
SCHEMBL2495462 0.80 KDM4E (0.38) HPGDLMNACRHR1KDM4EPOLB
SCHEMBL2498882 0.79 POLB (0.39) HPGDLMNACRHR1KDM4EPOLB
SCHEMBL12214398 0.79 CYP1A2 (0.34) CRHR1KDM4EPOLBGRM8CYP1A2
SCHEMBL2933140 0.77 CRHR1 (0.38) CRHR1KDM4EPOLBGRM8CYP1A2
SCHEMBL2493432 0.76 CYP1A2 (0.37) HPGDLMNACRHR1KDM4EPOLB
SCHEMBL2931328 0.73 PIK3CG (0.38) HPGDKDM4EPOLBNPSR1GRM8
SCHEMBL2931339 0.73 CRHR1 (0.52) HPGDLMNACRHR1CRHR2KDM4E

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-2094709-B1 THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2010-09-15 EP disclosed