SCHEMBL13690458

SCHEMBL13690458

CN1CCN(C(=O)c2ccc(-c3cnc(NCC4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.49
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
PRMT5 O14744 1/20 0.45
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
KDM1A O60341 1/20 0.43
HDAC1 Q13547 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
HDAC4 P56524 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATR Q13535 1/20 0.42
BCDIN3D Q7Z5W3 1/20 0.41
DYRK2 Q92630 1/20 0.41
TGFBR1 P36897 1/20 0.41

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
SCHEMBL13690750 0.90 GPR119 (0.49) GPR119KDM4EPKMPRMT5ABL1
SCHEMBL13690341 0.90 GPR119 (0.49) GPR119KDM4EPKMPRMT5ABL1
SCHEMBL4056484 0.88 KDM4E (0.52) GPR119KDM4EPKMPRMT5KDM1A
SCHEMBL13690383 0.88 GPR119 (0.51) GPR119KDM4EPKMPRMT5KDM1A
SCHEMBL13690395 0.85 GPR119 (0.56) GPR119KDM4EPKMPRMT5KDM1A
SCHEMBL13690346 0.84 GPR119 (0.48) GPR119KDM4EPKMPRMT5KDM1A
SCHEMBL13690526 0.84 GPR119 (0.48) GPR119KDM4EPKMPRMT5KDM1A
SCHEMBL13690387 0.83 GPR119 (0.59) GPR119
SCHEMBL13690524 0.83 PRMT5 (0.46) GPR119KDM4EPKMPRMT5KDM1A
SCHEMBL14191027 0.81 GPR119 (0.73) GPR119HDAC1TP53THRB

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