SCHEMBL8563169

SCHEMBL8563169

Nc1nc(NCC2CC2)c2nc[nH]c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.52
APP P05067 1/20 0.43
LRRK2 Q5S007 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
FFAR2 O15552 1/20 0.35
CDK1 P06493 4/20 0.35
CDK2 P24941 4/20 0.35
CCNB1 P14635 3/20 0.35
CCNA2 P20248 2/20 0.35
CCNA1 P78396 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
PDE10A Q9Y233 2/20 0.34
ADORA2A P29274 1/20 0.34
MAP4K4 O95819 1/20 0.34
CCNB2 O95067 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
CCNE2 O96020 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
SCHEMBL21594965 0.82 ADORA3 (0.45) CHUKLRRK2JAK2JAK1CDK2
SCHEMBL8826250 0.80 JAK2 (0.46) CHUKLRRK2JAK2JAK1FFAR2
SCHEMBL8348019 0.78 NLRP3 (0.40) CHUKCDK1CDK2CCNB1CCNA2
SCHEMBL8563173 0.78 CDK1 (0.58) CHUKCDK1CDK2CCNB1CCNA2
SCHEMBL133156 0.77 CHUK (0.45) CHUKJAK1ADORA2A
SCHEMBL30590050 0.77 CHUK (0.45) CHUKJAK1ADORA2A
SCHEMBL10838740 0.77 NUDT1 (0.41) CHUKAPPCDK1TLR7PRKACA
SCHEMBL27870443 0.76 GRM4 (0.45) APPJAK2JAK1CDK1CDK2
SCHEMBL27870418 0.76 GRM4 (0.42) APPNOS3NOS1JAK2JAK1
SCHEMBL8826182 0.76 APP (0.47) APPTLR7PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817639-A VIRICIDES YAMASA CORPORATION (JP) 1998-10-06 US disclosed
US-5811408-A ANTITUMOR AND ANTICARCINOGENIC AGENT; INTRODUCING SULFONYL GROUP ON HYDROXY GROUP OF TETRAHYDROFURAN RING, HYDROLYSIS, BLOCKING, OXIDATION, WITTING REACTION, DEPROTECTION AND PHOSPHORYLATION YAMASA CORPORATION (JP) 1998-09-22 US disclosed
EP-0770621-A1 2'-DEOXY-2'-(SUBSTITUTED OR UNSUBSTITUTED METHYLIDENE)-4'-THIONUCLEOSIDE YAMASA CORPORATION (JP) 1997-05-02 EP disclosed
EP-0648218-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-19 EP disclosed
WO-1994001443-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-01-20 WO disclosed
US-5153318-A Viricides for hepatitis and human t-cell leukemia/lymphoma viruses BURROUGHS WELLCOME CO. (US) 1992-10-06 US disclosed
EP-0421739-A1 3'-azido purine nucleoside THE WELLCOME FOUNDATION LIMITED (GB) 1991-04-10 EP disclosed