SCHEMBL3187771

SCHEMBL3187771

COc1nc(N)c(I)c(N)n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 2/20 0.31
TSHR P16473 2/20 0.31
HTT P42858 2/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL24344234 0.70 CYP1A2 (0.39) MEN1KMT2AATMTSHRHTT
SCHEMBL22644428 0.70 ALDH1A1 (0.37) GAA
SCHEMBL9383601 0.70 CCNA2 (0.35) MAPT
SCHEMBL10447738 0.70 ALDH1A1 (0.37)
SCHEMBL33145 0.69 ALDH1A1 (0.43) MEN1KMT2AATMTSHRHTT
SCHEMBL18783521 0.69 MEN1 (0.34) MEN1KMT2AATMTSHRHTT
SCHEMBL138352 0.69 HSD17B10 (0.44) MEN1KMT2AATMTSHRHTT
SCHEMBL1576395 0.69 TSHR (0.44) MEN1KMT2AATMTSHRHTT
SCHEMBL21936016 0.69 TP53 (0.31) TSHRHTTTP53POLBGAA
SCHEMBL10604745 0.69 CCNA2 (0.34)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741294-B1 Non-standard nucleobases implementing the isocytidine and isoguanosine hydrogen bonding patterns BENNER STEVEN ALBERT 2010-06-22 US disclosed
US-7741294-B1 Non-standard nucleobases implementing the isocytidine and isoguanosine hydrogen bonding patterns BENNER STEVEN ALBERT 2010-06-22 US disclosed
US-7666851-B1 Three ring fused analogs of isoguanosine BENNER STEVEN ALBERT 2010-02-23 US disclosed
US-7666851-B1 Three ring fused analogs of isoguanosine BENNER STEVEN ALBERT 2010-02-23 US disclosed