SCHEMBL28114494

SCHEMBL28114494

CC(C)N(c1nc(N)nc(N)n1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.32
DHFR P00374 2/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL3262195 0.84 PDE4A (0.41) GAA
SCHEMBL2490994 0.81 HSP90AB1 (0.48) LMNA
SCHEMBL4616571 0.81 TP53 (0.34) GAA
SCHEMBL15789239 0.80 LMNA (0.34) LMNA
SCHEMBL32679727 0.80 LMNA (0.39) GAALMNA
SCHEMBL29059523 0.77 HRH4 (0.41) GAALMNADHFR
SCHEMBL15789380 0.77 LMNA (0.32) LMNA
SCHEMBL15789477 0.75 MAPT (0.32) LMNA
SCHEMBL4164441 0.75 LMNA (0.34) LMNA
SCHEMBL27728682 0.75 ALDH1A1 (0.41) GAALMNA

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
CN-106132946-A Diaminourea pyrrolotriazine derivatives as herbicide 巴斯夫欧洲公司 2016-11-16 CN disclosed