SCHEMBL2625546

SCHEMBL2625546

Cc1ccc2nc(NC(C)C)n(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PDE2A O00408 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
TLR8 Q9NR97 1/20 0.39
IKBKB O14920 3/20 0.38
ACSS2 Q9NR19 1/20 0.38
LCK P06239 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38

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
SCHEMBL1704422 0.82 KDM4E (0.46) KDM4EHSD17B10KMT2AMEN1PDE2A
SCHEMBL8367026 0.82 CYP11B1 (0.46) MCHR1RAB9ANPC1ACSS2CSNK2A2
SCHEMBL2625553 0.81 KDM4E (0.45) MCHR1KDM4EHSD17B10KMT2AMEN1
SCHEMBL7996781 0.77 LMNA (0.57) KDM4EHSD17B10KMT2AMEN1GAA
SCHEMBL23105625 0.76 KMT2A (0.45) KDM4EHSD17B10KMT2AMEN1PDE2A
SCHEMBL12827141 0.75 HDAC6 (0.50) MCHR1KDM4EKMT2AMEN1GAA
SCHEMBL1104857 0.74 KDM4E (0.58) KDM4EKMT2AMEN1PDE2APDE3B
SCHEMBL24329592 0.74 MEN1 (0.51) KDM4EHSD17B10KMT2AMEN1PDE2A
SCHEMBL25080567 0.72 NPC1 (0.41) MCHR1KDM4EHSD17B10KMT2AMEN1
SCHEMBL5226280 0.72 KDM4E (0.44) KDM4EHSD17B10HPGDGFERNPC1

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
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed