SCHEMBL6922298

SCHEMBL6922298

C(=Cn1ncc2c(NC3CC3)ncnc21)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 1.00
ABL1 P00519 3/20 0.89
TP53 P04637 10/20 0.56
KDM4E B2RXH2 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
LMNA P02545 5/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL10034089 0.94 SRC (1.00) SRCABL1TP53KDM4ENPC1
SCHEMBL3859729 0.76 ABL1 (0.62) SRCABL1TP53KDM4ENPC1
SCHEMBL3859724 0.76 ABL1 (0.62) SRCABL1TP53KDM4ENPC1
SCHEMBL12935526 0.71 KDM4E (1.00) SRCABL1TP53KDM4ENPC1
SCHEMBL6922303 0.70 TP53 (0.60) SRCABL1TP53KDM4ENPC1
SCHEMBL13057346 0.68 TP53 (0.52) SRCABL1TP53KDM4ENPC1
SCHEMBL4772183 0.67 ABL1 (0.51) SRCABL1KDM4EALDH1A1HPGD
SCHEMBL4772189 0.67 ABL1 (0.51) SRCABL1KDM4EALDH1A1HPGD
SCHEMBL2236808 0.65 MAPT (0.49) SRCABL1KDM4ELMNAMAPT
SCHEMBL2236815 0.65 MAPT (0.49) SRCABL1KDM4ELMNAMAPT

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-2004106339-A2 4-SUBSTITUTED DERIVATIVES OF PYRAZOLO [3,4-d] PYRIMIDINE AND PYRROLO [2,3-d] PYRIMIDINE AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2004-12-09 WO disclosed