SCHEMBL7809929

SCHEMBL7809929

COCCOc1nc(N)nc2c1N=C[N]2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CDK1 P06493 5/20 0.33
CCNB1 P14635 5/20 0.33
CCNA2 P20248 4/20 0.33
CDK2 P24941 4/20 0.33
CCNA1 P78396 4/20 0.33
PIN1 Q13526 1/20 0.32

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
SCHEMBL1025894 0.80 CCNA2 (0.37) CCNA2CDK2CCNA1
SCHEMBL7809922 0.74 CDK1 (0.31) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL7458817 0.74 MGMT (0.51) TSHRTLR8TLR7CDK1CCNB1
SCHEMBL8886043 0.73 CDK1 (0.42) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL16462614 0.68 TSHR (0.42) TSHRTLR8TLR7CDK1CCNB1
SCHEMBL26978387 0.66 TSHR (0.40) TSHRTLR8TLR7CDK1CCNB1
SCHEMBL28870579 0.66 TLR8 (0.42) TSHRTLR8TLR7CDK1CCNB1
SCHEMBL30559687 0.66 TSHR (0.40) TSHRTLR8TLR7CDK1CCNB1
SCHEMBL16463883 0.65 TSHR (0.39) TSHRTLR8TLR7CDK1CCNB1
SCHEMBL7452627 0.64 CDK2 (0.32) CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675123-B1 Cyclopropane derivatives and method of preparing the same AJINOMOTO KK (JP) 2001-02-21 EP claimed
US-5925756-A Cyclopropane derivatives and method of preparing the same AJINOMOTO CO., INC. (JP) 1999-07-20 US claimed
US-5777116-A Cyclopropane derivatives and method of preparing the same AJINOMOTO CO., INC. (JP) 1998-07-07 US claimed
EP-0675123-A1 Cyclopropane derivatives and method of preparing the same Ajinomoto Co., Inc. (JP) 1995-10-04 EP claimed
EP-0675123-B1 Cyclopropane derivatives and method of preparing the same AJINOMOTO KK (JP) 2001-02-21 EP disclosed
US-5925756-A Cyclopropane derivatives and method of preparing the same AJINOMOTO CO., INC. (JP) 1999-07-20 US disclosed
US-5808134-A Cyclopropane derivatives and method of preparing the same AJINOMOTO CO., LTD. (JP) 1998-09-15 US disclosed
US-5777116-A Cyclopropane derivatives and method of preparing the same AJINOMOTO CO., INC. (JP) 1998-07-07 US disclosed
EP-0433897-B1 Process for preparing an optically active cyclobutane nucleoside SQUIBB & SONS INC (US) 1997-10-01 EP disclosed
US-5556994-A Cyclopropane derivatives and method of preparing the same AJINOMOTO CO., INC. (JP) 1996-09-17 US disclosed
EP-0675123-A1 Cyclopropane derivatives and method of preparing the same Ajinomoto Co., Inc. (JP) 1995-10-04 EP disclosed
US-5306837-A Intermediates for an optically active cyclobutane nucleoside E. R. SQUIBB & SONS, INC. (US) 1994-04-26 US disclosed
US-5256806-A Intermediates for the preparation of optically active cyclobutane nucleoside E. R. SQUIBB & SONS, INC. (US) 1993-10-26 US disclosed
US-5198583-A Optically active cyclobutane nucleoside and intermediates, therefor E. R. SQUIBB & SONS, INC. (US) 1993-03-30 US disclosed
US-5064961-A PROCESS FOR PREPARING AN OPTICALLY ACTIVE CYCLOBUTANE NUCLEOSIDE E. R. SQUIBB & SONS, INC. (US) 1991-11-12 US disclosed
EP-0433897-A2 Process for preparing an optically active cyclobutane nucleoside E.R. SQUIBB & SONS, INC. (US) 1991-06-26 EP disclosed