SCHEMBL14958629

SCHEMBL14958629

CCCCOc1nc(N=NN)nc2[nH]cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.42
CDK2 P24941 5/20 0.42
CCNB1 P14635 4/20 0.42
CCNA2 P20248 3/20 0.42
CCNA1 P78396 3/20 0.42
PIN1 Q13526 1/20 0.42
CHRM1 P11229 2/20 0.34
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
CHUK O15111 1/20 0.33
PDPK1 O15530 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
NTRK1 P04629 1/20 0.33
PRKCG P05129 1/20 0.33
INSR P06213 1/20 0.33

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
SCHEMBL880169 0.79 CDK1 (0.61) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL15199737 0.77 CDK1 (0.44) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL22639807 0.74 CDK1 (0.48) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL16511376 0.73 CDK1 (0.41) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL8830293 0.72 CDK1 (0.60) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL8937059 0.69 CDK1 (0.49) CDK1CDK2CCNB1CCNA2CCNA1
6-(Decyloxy)Purine SCHEMBL6234481 0.69 CDK1 (0.49) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL7027155 0.69 CDK1 (0.49) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL5175458 0.69 CDK1 (0.49) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL1146060 0.68 CDK1 (0.43) CDK1CDK2CCNB1CCNA2CCNA1

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
EP-2594569-A1 ENTECAVIR SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2013-05-22 EP disclosed