SCHEMBL2931270

SCHEMBL2931270

CCC(CC)c1cc(C)nc2c(-c3sc(Br)nc3C)c(C)nn12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
CRHR1 P34998 7/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ATM Q13315 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL2497805 0.92 HPGD (0.38) HPGDPOLBKDM4EMAPTCRHR1
SCHEMBL2498882 0.87 POLB (0.39) HPGDPOLBKDM4EMAPTCRHR1
SCHEMBL545543 0.86 HPGD (0.40) HPGDPOLBKDM4EMAPTCRHR1
SCHEMBL2930712 0.85 CRHR1 (0.39) HPGDPOLBKDM4EMAPTCRHR1
SCHEMBL544959 0.84 CRHR1 (0.40) HPGDPOLBKDM4EMAPTCRHR1
SCHEMBL2497127 0.82 CRHR1 (0.38) HPGDPOLBKDM4EMAPTCRHR1
SCHEMBL12409295 0.82 CRHR1 (0.40) HPGDPOLBKDM4EMAPTCRHR1
SCHEMBL2499635 0.81 HPGD (0.34) HPGDPOLBKDM4EMAPTCRHR1
SCHEMBL2178265 0.81 CRHR1 (0.39) HPGDPOLBKDM4EMAPTCRHR1
SCHEMBL2495293 0.81 HPGD (0.39) HPGDPOLBKDM4EMAPTCRHR1

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