SCHEMBL4050449

SCHEMBL4050449

CC(C)(C)OC(=O)N1CCC(CNc2cnc(Br)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
BCDIN3D Q7Z5W3 1/20 0.47
PRMT5 O14744 1/20 0.47
GPR119 Q8TDV5 5/20 0.47
FPR3 P25089 1/20 0.46
FPR2 P25090 1/20 0.46
GRIN2B Q13224 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
SYK P43405 1/20 0.45
FAAH O00519 1/20 0.44
KDM1A O60341 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
TGFBR1 P36897 1/20 0.43
JAK2 O60674 1/20 0.42

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
SCHEMBL3986190 0.86 KDM4E (0.53) KDM4EPKMIDO1TDO2BCDIN3D
SCHEMBL4052814 0.82 GRIN2B (0.46) KDM4EGRIN2BCYP3A4CYP2D6CYP2C9
SCHEMBL4460419 0.82 IDO1 (0.53) KDM4EPKMIDO1TDO2BCDIN3D
SCHEMBL13690395 0.81 GPR119 (0.56) KDM4EPKMPRMT5GPR119GRIN2B
SCHEMBL13893597 0.81 IDO1 (0.53) KDM4EPKMIDO1TDO2BCDIN3D
SCHEMBL1874931 0.81 FPR3 (0.47) PRMT5FPR3FPR2KDM1A
SCHEMBL19462008 0.81 KDM4E (0.52) KDM4EPKMIDO1TDO2BCDIN3D
SCHEMBL1878430 0.81 FPR3 (0.47) PRMT5FPR3FPR2KDM1A
SCHEMBL5353495 0.80 BCDIN3D (0.50) KDM4EPKMIDO1TDO2BCDIN3D
SCHEMBL4056484 0.80 KDM4E (0.52) KDM4EPKMPRMT5GPR119GRIN2B

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
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed