SCHEMBL2932900

SCHEMBL2932900

CCC(CC)c1cc(C)nc2c(-c3sc(N4CCOCC4)nc3C(F)(F)F)c(C)nn12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.47
CRHR2 Q13324 1/20 0.47
HSD17B10 Q99714 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.38
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
PIK3CD O00329 5/20 0.36
PIK3CB P42338 5/20 0.36
PIK3CG P48736 4/20 0.36
KDM4E B2RXH2 5/20 0.35
PIK3CA P42336 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL2931339 0.89 CRHR1 (0.52) CRHR1CRHR2HSD17B10LMNAMAPK1
SCHEMBL2182127 0.86 CRHR1 (0.61) CRHR1CRHR2HSD17B10LMNAMAPK1
SCHEMBL2496095 0.86 CRHR1 (0.49) CRHR1CRHR2HSD17B10LMNAMAPK1
SCHEMBL2494849 0.85 CRHR1 (0.48) CRHR1CRHR2HSD17B10LMNAMAPK1
SCHEMBL2933954 0.84 HPGD (0.34) CRHR1CRHR2HSD17B10LMNAMAPK1
SCHEMBL2933952 0.84 HPGD (0.34) CRHR1CRHR2HSD17B10LMNAMAPK1
SCHEMBL2495432 0.83 POLB (0.40) CRHR1LMNAKMT2APOLBMEN1
SCHEMBL2498882 0.82 POLB (0.39) CRHR1LMNAKMT2APOLBMEN1
SCHEMBL29430976 0.81 CRHR1 (0.57) CRHR1CRHR2HSD17B10LMNAMAPK1
SCHEMBL2495462 0.81 KDM4E (0.38) CRHR1HSD17B10LMNAKMT2APOLB

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