SCHEMBL11249941

SCHEMBL11249941

CC(=O)OCCOCn1cnc2c(N)nc(N)nc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TSHR P16473 2/20 0.57
CDK1 P06493 2/20 0.53
CCNB1 P14635 2/20 0.53
CCNE1 P24864 2/20 0.53
CDK2 P24941 2/20 0.53
HBB P68871 2/20 0.49
MAPK1 P28482 1/20 0.49
ENPP1 P22413 2/20 0.47
PNP P00491 5/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
EDNRA P25101 1/20 0.46
HTR2A P28223 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
NT5E P21589 1/20 0.43
HPRT1 P00492 3/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL9366819 0.89 MEN1 (0.56) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL9426463 0.84 ENPP1 (0.61) MEN1KMT2ATSHRENPP1NT5E
SCHEMBL19553462 0.83 CDK1 (0.53) MEN1KMT2ATSHRCDK1CCNB1
SCHEMBL11249255 0.83 EGFR (0.46) MEN1KMT2ATSHRCDK1CCNB1
SCHEMBL11724984 0.82 PNP (0.60) MEN1KMT2ATSHRCDK1CCNB1
SCHEMBL571583 0.82 PNP (0.62) MEN1KMT2ATSHRCDK1CCNB1
SCHEMBL9583183 0.81 CCNE1 (0.51) MEN1KMT2ATSHRCDK1CCNB1
Hydrochloric Acid SCHEMBL11250267 0.81 PNP (0.61) MEN1KMT2ATSHRCDK1CCNB1
SCHEMBL8926305 0.81 HSD17B10 (0.61) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL5053218 0.80 MEN1 (0.57) MEN1KMT2ATSHRHBBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4360522-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-11-23 US disclosed
US-4323573-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-04-06 US disclosed
US-4294831-A ANTIVIRAL ACTIVITY BURROUGHS WELLCOME CO. (US) 1981-10-13 US disclosed
US-4287188-A PARTICULARLY 9-(2-HYDROXYETHOXYMETHYL) GUANINE MONOPHOSPHATE AND SALTS, USEFUL AS ANTIVIRIAL AGENTS BURROUGHS WELLCOME CO. (US) 1981-09-01 US disclosed
US-4199574-A Methods and compositions for treating viral infections and guanine acyclic nucleosides BURROUGHS WELLCOME CO. (US) 1980-04-22 US disclosed
US-4146715-A ANTIVIRAL AGENTS BURROUGHS WELLCOME CO. (US) 1979-03-27 US disclosed