SCHEMBL3402852

SCHEMBL3402852

CC1(C)Nc2ccc(Nc3nc(N[C@H]4CCCNC4)cc4nc[nH]c(=O)c34)nc2OC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.56
JAK2 O60674 9/20 0.56
ZAP70 P43403 9/20 0.56
LYN P07948 8/20 0.56
KCNH2 Q12809 4/20 0.39
AURKB Q96GD4 3/20 0.39
SLC2A1 P11166 1/20 0.38
RET P07949 1/20 0.38
FLT3 P36888 1/20 0.38
ALK Q9UM73 1/20 0.38
BRD4 O60885 1/20 0.36
MELK Q14680 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNK O75909 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
MAPK3 P27361 2/20 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
SCHEMBL1056433 0.81 SYK (0.60) SYKJAK2ZAP70LYNKCNH2
SCHEMBL3403103 0.80 SYK (0.34) SYKJAK2ZAP70LYNKCNH2
SCHEMBL12932027 0.79 SYK (0.58) SYKJAK2ZAP70LYNKCNH2
SCHEMBL1053859 0.77 SYK (0.71) SYKJAK2ZAP70LYNKCNH2
SCHEMBL13745953 0.76 SYK (0.67) SYKJAK2ZAP70LYNKCNH2
SCHEMBL1053640 0.76 SYK (0.67) SYKJAK2ZAP70LYNKCNH2
SCHEMBL1060374 0.75 SYK (0.63) SYKJAK2ZAP70LYNKCNH2
SCHEMBL1051535 0.74 SYK (0.65) SYKJAK2ZAP70LYNKCNH2
SCHEMBL3403293 0.74 SYK (0.64) SYKJAK2ZAP70LYNKCNH2
SCHEMBL1057690 0.73 SYK (0.65) SYKJAK2ZAP70LYNKCNH2

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-2250169-A1 PYRIDO [4, 3-D]PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-11-17 EP disclosed
WO-2009099801-A1 PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-08-13 WO disclosed