SCHEMBL5050653

SCHEMBL5050653

COc1c(Nc2cnc(CO)cc2C)ncnc1OC1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.39
KCNH2 Q12809 2/20 0.39
CYP2C9 P11712 1/20 0.39
ACVR1B P36896 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
EGFR P00533 3/20 0.33
FGFR1 P11362 2/20 0.33
FLT1 P17948 2/20 0.33
FLT4 P35916 2/20 0.33
KDR P35968 2/20 0.33
BRAF P15056 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCND3 P30281 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32

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
SCHEMBL5046463 0.82 GPR119 (0.55) GPR119KCNH2CYP2C9
SCHEMBL390250 0.81 GPR119 (0.63) GPR119KCNH2CYP2C9
SCHEMBL5824241 0.74 EGFR (0.47) GPR119KCNH2CYP2C9ACVR1EGFR
SCHEMBL5822719 0.72 GPR119 (0.60) GPR119KCNH2CYP2C9
SCHEMBL5140723 0.71 GPR119 (0.51) GPR119KCNH2CYP2C9BRAF
SCHEMBL13358788 0.70 GPR119 (0.45) GPR119KCNH2CYP2C9EGFRFGFR1
SCHEMBL6065686 0.70 GPR119 (0.46) GPR119CYP2C9
SCHEMBL14357664 0.69 GPR119 (0.55) GPR119KCNH2CYP2C9EGFRFGFR1
SCHEMBL2372594 0.69 GPR119 (0.66) GPR119KCNH2CYP2C9
SCHEMBL16384785 0.69 GPR119 (0.51) GPR119KCNH2CYP2C9EGFRFGFR1

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-2004157-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120702-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AND COMBINATION THERAPY RELATING THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed