SCHEMBL7983071

SCHEMBL7983071

OC[C@@H]1C[C@H](F)C(n2cnc3cncnc32)O1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 1/20 0.41
ADA P00813 1/20 0.39
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
SLC29A1 Q99808 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
BCHE P06276 2/20 0.35
FDPS P14324 1/20 0.34
NT5E P21589 1/20 0.34

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
SCHEMBL8510067 1.00 DNMT3B (0.41) DNMT3BADAEGFRERBB2SLC29A1
SCHEMBL7983075 1.00 DNMT3B (0.41) DNMT3BADAEGFRERBB2SLC29A1
SCHEMBL12174029 0.86 SLC29A1 (0.47) DNMT3BADASLC29A1KDM4EPKM
SCHEMBL2578051 0.86 SLC29A1 (0.47) DNMT3BADASLC29A1KDM4EPKM
SCHEMBL21393028 0.84 DNMT3B (0.38) DNMT3BSLC29A1BCHEFDPSNT5E
SCHEMBL26212473 0.83 DNMT3B (0.37) DNMT3BSLC29A1BCHEFDPSNT5E
SCHEMBL8624607 0.81 KDM4E (0.42) SLC29A1KDM4EPKMNT5E
SCHEMBL8624601 0.81 KDM4E (0.42) SLC29A1KDM4EPKMNT5E
SCHEMBL10444560 0.81 NT5E (0.42) KDM4EPKMNT5E
SCHEMBL8616460 0.79 EGFR (0.46) EGFRERBB2SLC29A1BCHE

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-6271212-B1 MIXTURE WITH CARRIER UNIVERSITY OF GEORGIA RESEARCH FOUNDATION INC. 2001-08-07 US claimed