SCHEMBL4469769

SCHEMBL4469769

CC(C)c1cc(Cc2c(N)nc(N)nc2N2CCOCC2)on1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.46
IGF1R P08069 3/20 0.41
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
PRKDC P78527 1/20 0.36
MAP2K7 O14733 1/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
IKBKB O14920 1/20 0.34
DHFR P00374 2/20 0.34
SLC5A7 Q9GZV3 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL4457078 0.89 IGF1R (0.41) IGF1R
SCHEMBL4462891 0.84 IGF1R (0.43) IGF1RMAPTKDM4ELMNASMN1; SMN2
SCHEMBL1790427 0.83 ALDH1A1 (0.36) IGF1RCYP2D6DHFRLMNASMN1; SMN2
SCHEMBL4469774 0.82 NUDT1 (0.49) NUDT1CRHBPCRHR2PRKDCMAP2K7
SCHEMBL4457095 0.78 DRD2 (0.42) NUDT1IGF1RMAPTKDM4ELMNA
SCHEMBL4457341 0.72 SLC5A7 (0.44) IGF1RKDM4ESLC5A7HTTSMN1; SMN2
SCHEMBL4463976 0.72 IGF1R (0.45) IGF1RSLC5A7NOS1
SCHEMBL18932177 0.69 LMNA (0.47) IGF1RMAPTSLC5A7LMNAHTT
SCHEMBL17979717 0.68 NUDT1 (0.58) NUDT1CRHBPCRHR2PRKDCMAP2K7
SCHEMBL4458392 0.68 DHFR (0.51) DHFR

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed