SCHEMBL6184056

SCHEMBL6184056

CNC(=O)C(=O)NCCN(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
DNM1 Q05193 1/20 0.44
PRMT3 O60678 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT1 Q99873 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
GLA P06280 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8009723 0.91 CA1 (0.50) KDM4EDNM1PRMT3CARM1PRMT6
SCHEMBL12583973 0.80 CYP2C19 (0.50) KDM4ECYP2C19CYP1A2CYP2D6SMN1; SMN2
SCHEMBL19374828 0.79 DNM1 (0.40) KDM4EDNM1PRMT3CARM1PRMT6
SCHEMBL13609675 0.79 DNM1 (0.46) KDM4EDNM1PRMT3CARM1PRMT6
SCHEMBL836639 0.79 PRMT3 (0.46) DNM1PRMT3CARM1PRMT6PRMT1
SCHEMBL9702686 0.79 DNM1 (0.46) KDM4EDNM1PRMT3CARM1PRMT6
SCHEMBL7241259 0.78 ALDH1A1 (0.48) KDM4EDNM1CA1CA2CA12
Hydrochloric Acid SCHEMBL10442360 0.77 DNM1 (0.44) KDM4EDNM1PRMT3CARM1PRMT6
SCHEMBL3760523 0.77 DNM1 (0.44) KDM4EDNM1PRMT3CARM1PRMT6
SCHEMBL3760526 0.77 DNM1 (0.44) KDM4EDNM1PRMT3CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465631-A4 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-03-30 EP disclosed
EP-1465631-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-13 EP disclosed
WO-2003053366-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 WO disclosed