SCHEMBL5823945

SCHEMBL5823945

COC(=O)c1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)c5ccccc5)n4)cc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
AXL P30530 2/20 0.34
MERTK Q12866 2/20 0.34
TYRO3 Q06418 1/20 0.34
NEK1 Q96PY6 1/20 0.34
AKT1 P31749 2/20 0.34
AKT2 P31751 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SLC6A3 Q01959 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5822635 0.88 CMKLR1 (0.37) CPT1ADGAT2RXRARXRBRXRG
SCHEMBL5820265 0.87 DGAT2 (0.37) CPT2CPT1ADGAT2RXRARXRB
SCHEMBL5823147 0.87 MAP3K5 (0.34) DGAT2RXRARXRBRXRGMAPT
SCHEMBL5373140 0.85 CPT2 (0.35) CPT2CPT1ADGAT2PDE4DPDE7A
SCHEMBL2967295 0.82 PDE4D (0.41) CPT2CPT1ADGAT2PDE4DPDE7A
SCHEMBL5823947 0.82 DGAT2 (0.36) DGAT2RXRARXRBRXRGCMKLR1
SCHEMBL5377997 0.79 MAP2K4 (0.41) CPT2CPT1ADGAT2PDE4DPDE7A
SCHEMBL5378434 0.78 CREBBP (0.41) CPT2CPT1ADGAT2PDE4DPDE7A
SCHEMBL5379195 0.78 PPARG (0.37) DGAT2MEN1KMT2A
SCHEMBL5377249 0.78 PPARG (0.37) DGAT2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618093-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS Signal Pharmaceuticals LLC (US) 2006-01-25 EP disclosed
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 WO disclosed