SCHEMBL2931328

SCHEMBL2931328

CCC(CC)c1cc(C)nc2c(-c3sc(NC(C)=O)nc3C(F)(F)F)c(C)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.38
KDM4E B2RXH2 4/20 0.38
PIK3CA P42336 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CB P42338 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
RIPK1 Q13546 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DYRK1A Q13627 2/20 0.34
GRM8 O00222 1/20 0.34
CYP1A2 P05177 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
SCHEMBL2492930 0.84 PIK3CG (0.38) PIK3CGPIK3CAPIK3CDPIK3CBRIPK1
SCHEMBL2498882 0.83 POLB (0.39) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL2498943 0.83 BRD4 (0.34) ALDH1A1MEN1KMT2AGRM8CYP1A2
SCHEMBL2495462 0.82 KDM4E (0.38) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL544898 0.81 MAPT (0.42) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL2933140 0.80 CRHR1 (0.38) KDM4EMAPTPOLBGRM8CYP1A2
SCHEMBL2495432 0.79 POLB (0.40) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL2493432 0.78 CYP1A2 (0.37) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL2932900 0.76 CRHR1 (0.47) PIK3CGKDM4EPIK3CAALDH1A1MEN1
SCHEMBL2929947 0.76 CYP1A2 (0.34) KDM4EMAPTALDH1A1POLBHPGD

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